CAS RN: 40481-86-5
CAS Name: carbamimidothioic acid 2-[[[2-[[[2-(carbamimidoylthio)ethylamino]-oxomethyl]amino]ethylamino]-oxomethyl]amino]ethyl ester chloride
OPENEYE Name: 1-(2-carbamimidoylsulfanylethyl)-3-[2-(2-carbamimidoylsulfanylethylcarbamoylamino)ethyl]urea chloride
IUPAC Name: 2-[2-(2-carbamimidoylsulfanylethylcarbamoylamino)ethylcarbamoylamino]ethyl carbamimidothioate chloride
SYSTEMATIC NAME: 2-[2-(2-carbamimidoylsulfanylethylcarbamoylamino)ethylcarbamoylamino]ethyl carbamimidothioate chloride
MOLECULAR FORMULA: C10H22ClN8O2S2-
MOLECULAR WEIGHT: 385.91708
SMILES: C(CNC(=O)NCCSC(=N)N)NC(=O)NCCSC(=N)N.[Cl-]
Structure:
CAS RN: 64039-26-5
CAS Name: carbamimidothioic acid 2-[[[2-(carbamimidoylthio)ethylamino]-oxomethyl]amino]ethyl ester chloride
OPENEYE Name: 1,3-bis(2-carbamimidoylsulfanylethyl)urea chloride
IUPAC Name: 2-(2-carbamimidoylsulfanylethylcarbamoylamino)ethyl carbamimidothioate chloride
SYSTEMATIC NAME: 2-(2-carbamimidoylsulfanylethylcarbamoylamino)ethyl carbamimidothioate chloride
MOLECULAR FORMULA: C7H16ClN6OS2-
MOLECULAR WEIGHT: 299.82454
SMILES: C(CSC(=N)N)NC(=O)NCCSC(=N)N.[Cl-]
Structure:
CAS RN: 5221-90-9
CAS Name: 3-hydroxy-4-imidazo[4,5-d]triazinamine
OPENEYE Name: 3-hydroxyimidazo[4,5-d]triazin-4-amine
IUPAC Name: 3-hydroxyimidazo[4,5-d]triazin-4-amine
SYSTEMATIC NAME: 3-oxidanylimidazo[4,5-d][1,2,3]triazin-4-amine
MOLECULAR FORMULA: C4H4N6O
MOLECULAR WEIGHT: 152.11416
SMILES: C1=NC2=C(N(N=NC2=N1)O)N
Structure:
CAS RN: 4515-60-0
CAS Name: tris(hydroxymethyl)-prop-2-enylphosphonium chloride
OPENEYE Name: allyl-tris(hydroxymethyl)phosphonium chloride
IUPAC Name: tris(hydroxymethyl)-prop-2-enylphosphanium chloride
SYSTEMATIC NAME: tris(hydroxymethyl)-prop-2-enyl-phosphanium chloride
MOLECULAR FORMULA: C6H14ClO3P
MOLECULAR WEIGHT: 200.600321
SMILES: C=CC[P+](CO)(CO)CO.[Cl-]
Structure:
CAS RN: 14859-90-6
CAS Name: (6E)-7H-purine-6-carboxaldehyde hydrazone
OPENEYE Name: (6E)-7H-purine-6-carbaldehyde hydrazone
IUPAC Name: (E)-7H-purin-6-ylmethylidenehydrazine
SYSTEMATIC NAME: (E)-7H-purin-6-ylmethylidenediazane
MOLECULAR FORMULA: C6H6N6
MOLECULAR WEIGHT: 162.15204
SMILES: C1=NC2=NC=NC(=C2N1)/C=N/N
Structure:
CAS RN: 22735-07-5
CAS Name: 2-amino-3-[(2-amino-3-ethoxy-3-oxopropyl)disulfanyl]propanoic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 2-amino-3-[(2-amino-3-ethoxy-3-oxo-propyl)disulfanyl]propanoate hydrochloride
IUPAC Name: ethyl 2-amino-3-[(2-amino-3-ethoxy-3-oxopropyl)disulfanyl]propanoate hydrochloride
SYSTEMATIC NAME: ethyl 2-azanyl-3-[(2-azanyl-3-ethoxy-3-oxidanylidene-propyl)disulfanyl]propanoate hydrochloride
MOLECULAR FORMULA: C10H21ClN2O4S2
MOLECULAR WEIGHT: 332.86774
SMILES: CCOC(=O)C(CSSCC(C(=O)OCC)N)N.Cl
Structure:
CAS RN: 41926-90-3
CAS Name: 2-(5,6-dichloro-1H-benzimidazol-2-yl)guanidine hydrochloride
OPENEYE Name: 2-(5,6-dichloro-1H-benzimidazol-2-yl)guanidine hydrochloride
IUPAC Name: 2-(5,6-dichloro-1H-benzimidazol-2-yl)guanidine hydrochloride
SYSTEMATIC NAME: 2-[5,6-bis(chloranyl)-1H-benzimidazol-2-yl]guanidine hydrochloride
MOLECULAR FORMULA: C8H8Cl3N5
MOLECULAR WEIGHT: 280.54162
SMILES: C1=C2C(=CC(=C1Cl)Cl)N=C(N2)N=C(N)N.Cl
Structure:
CAS RN: 1014-84-2
CAS Name: 1-[2-chloro-3-(1-pyrrolidinyl)propyl]pyrrolidine hydrochloride
OPENEYE Name: 1-(2-chloro-3-pyrrolidin-1-yl-propyl)pyrrolidine hydrochloride
IUPAC Name: 1-(2-chloro-3-pyrrolidin-1-ylpropyl)pyrrolidine hydrochloride
SYSTEMATIC NAME: 1-(2-chloranyl-3-pyrrolidin-1-yl-propyl)pyrrolidine hydrochloride
MOLECULAR FORMULA: C11H22Cl2N2
MOLECULAR WEIGHT: 253.21178
SMILES: C1CCN(C1)CC(CN2CCCC2)Cl.Cl
Structure:
CAS RN: 54716-30-2
CAS Name: 2-aminooxybutanoic acid hydrochloride
OPENEYE Name: 2-aminooxybutanoic acid hydrochloride
IUPAC Name: 2-aminooxybutanoic acid hydrochloride
SYSTEMATIC NAME: 2-azanyloxybutanoic acid hydrochloride
MOLECULAR FORMULA: C4H10ClNO3
MOLECULAR WEIGHT: 155.5801
SMILES: CCC(C(=O)O)ON.Cl
Structure:
CAS RN: 5637-83-2
CAS Name: 2,4,6-triazido-1,3,5-triazine
OPENEYE Name: 2,4,6-triazido-1,3,5-triazine
IUPAC Name: 2,4,6-triazido-1,3,5-triazine
SYSTEMATIC NAME: 2,4,6-triazido-1,3,5-triazine
MOLECULAR FORMULA: C3N12
MOLECULAR WEIGHT: 204.1125
SMILES: C1(=NC(=NC(=N1)N=[N+]=[N-])N=[N+]=[N-])N=[N+]=[N-]
Structure:
CAS RN: 63498-28-2
CAS Name: carbamimidothioic acid [4-[4-[(carbamimidoylthio)methyl]phenoxy]phenyl]methyl ester chloride
OPENEYE Name: 2-[[4-[4-(carbamimidoylsulfanylmethyl)phenoxy]phenyl]methyl]isothiourea chloride
IUPAC Name: [4-[4-(carbamimidoylsulfanylmethyl)phenoxy]phenyl]methyl carbamimidothioate chloride
SYSTEMATIC NAME: [4-[4-(carbamimidoylsulfanylmethyl)phenoxy]phenyl]methyl carbamimidothioate chloride
MOLECULAR FORMULA: C16H18ClN4OS2-
MOLECULAR WEIGHT: 381.92332
SMILES: C1=CC(=CC=C1CSC(=N)N)OC2=CC=C(C=C2)CSC(=N)N.[Cl-]
Structure:
CAS RN: 65881-58-5
CAS Name: 7-[2-[bis(2-chloroethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione hydrochloride
OPENEYE Name: 7-[2-[bis(2-chloroethyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione hydrochloride
IUPAC Name: 7-[2-[bis(2-chloroethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione hydrochloride
SYSTEMATIC NAME: 7-[2-[bis(2-chloroethyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione hydrochloride
MOLECULAR FORMULA: C13H20Cl3N5O2
MOLECULAR WEIGHT: 384.6892
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(CCCl)CCCl.Cl
Structure:
CAS RN: 89875-98-9
CAS Name: N5,2-dimethylpyrimidine-4,5-diamine chloride
OPENEYE Name: N5,2-dimethylpyrimidine-4,5-diamine chloride
IUPAC Name: 5-N,2-dimethylpyrimidine-4,5-diamine chloride
SYSTEMATIC NAME: N5,2-dimethylpyrimidine-4,5-diamine chloride
MOLECULAR FORMULA: C6H10ClN4-
MOLECULAR WEIGHT: 173.6234
SMILES: CC1=NC=C(C(=N1)N)NC.[Cl-]
Structure:
CAS RN: 14708-95-3
CAS Name: cobalt(2+); [4-hydroxy-5-(5-hydroxy-1-benzimidazolyl)-2-(hydroxymethyl)-3-oxolanyl] 1-[[1-oxo-3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propyl
OPENEYE Name: cobaltous [4-hydroxy-5-(5-hydroxybenzimidazol-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] [1-methyl-2-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id
IUPAC Name: cobalt(2+); [4-hydroxy-5-(5-hydroxybenzimidazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamin
SYSTEMATIC NAME: cobalt(2+); [2-(hydroxymethyl)-4-oxidanyl-5-(5-oxidanylbenzimidazol-1-yl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corri
MOLECULAR FORMULA: C61H85CoN14O15P
MOLECULAR WEIGHT: 1344.319361
SMILES: C/C/1=C/2\C(C(C([N-]2)C3(C(C(C(=N3)/C(=C\4/C(C(C(=N4)/C=C\5/C(C(C1=N5)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCC(C)OP(=O)(O)OC6C(OC(C6O)N7C=NC8=C7C=CC(=C8)O)CO.[C-]#N.[Co+2]
Structure:
CAS RN: 60607-61-6
CAS Name: cobalt(2+); [5-(5,6-dichloro-1-benzimidazolyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] 1-[[1-oxo-3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]pro
OPENEYE Name: cobaltous [5-(5,6-dichlorobenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [1-methyl-2-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21
IUPAC Name: cobalt(2+); [5-(5,6-dichlorobenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoyla
SYSTEMATIC NAME: [5-[5,6-bis(chloranyl)benzimidazol-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-2
MOLECULAR FORMULA: C61H83Cl2CoN14O14P
MOLECULAR WEIGHT: 1397.210081
SMILES: C/C/1=C/2\C(C(C([N-]2)C3(C(C(C(=N3)/C(=C\4/C(C(C(=N4)/C=C\5/C(C(C1=N5)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCC(C)OP(=O)(O)OC6C(OC(C6O)N7C=NC8=CC(=C(C=C87)Cl)Cl)CO.[C-]#N.[Co+2]
Structure:
CAS RN: 23387-96-4
CAS Name: [5-(3-benzo[f]benzimidazolyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] 1-[[1-oxo-3-[(4Z,9Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propyl]amino]propan-2-yl
OPENEYE Name: cobaltous [5-benzo[f]benzimidazol-3-yl-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [1-methyl-2-[3-[(4Z,9Z)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]p
IUPAC Name: [5-benzo[f]benzimidazol-3-yl-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl hydro
SYSTEMATIC NAME: [5-benzo[f]benzimidazol-3-yl-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 1-[3-[(4Z,9Z)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propan
MOLECULAR FORMULA: C65H87CoN14O14P
MOLECULAR WEIGHT: 1378.378641
SMILES: C/C/1=C/2\C(C(C([N-]2)C3(C(C(C(=N3)C(=C4C(C(C(=N4)/C=C\5/C(C(C1=N5)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCC(C)OP(=O)(O)OC6C(OC(C6O)N7C=NC8=CC9=CC=CC=C9C=C87)CO.[C-]#N.[Co+2]
Structure:
CAS RN: 2443-50-7
CAS Name: 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-2-thiazolethione chloride
OPENEYE Name: 3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-thiazole-2-thione chloride
IUPAC Name: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione chloride
SYSTEMATIC NAME: 3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione chloride
MOLECULAR FORMULA: C12H16ClN4OS2-
MOLECULAR WEIGHT: 331.86464
SMILES: CC1=C(SC(=S)N1CC2=CN=C(N=C2N)C)CCO.[Cl-]
Structure:
CAS RN: 91773-89-6
CAS Name: N,N'-di(propan-2-yl)methanimidamide chloride
OPENEYE Name: N,N'-diisopropylformamidine chloride
IUPAC Name: N,N'-di(propan-2-yl)methanimidamide chloride
SYSTEMATIC NAME: N,N'-di(propan-2-yl)methanimidamide chloride
MOLECULAR FORMULA: C7H16ClN2-
MOLECULAR WEIGHT: 163.66834
SMILES: CC(C)NC=NC(C)C.[Cl-]
Structure:
CAS RN: 3385-47-5
CAS Name: N,N'-dicyclohexylmethanimidamide chloride
OPENEYE Name: N,N'-dicyclohexylformamidine chloride
IUPAC Name: N,N'-dicyclohexylmethanimidamide chloride
SYSTEMATIC NAME: N,N'-dicyclohexylmethanimidamide chloride
MOLECULAR FORMULA: C13H24ClN2-
MOLECULAR WEIGHT: 243.79606
SMILES: C1CCC(CC1)NC=NC2CCCCC2.[Cl-]
Structure:
CAS RN: 89418-54-2
CAS Name: 1-nitro-2-[(E)-(5-nitro-2-furanyl)methylideneamino]guanidine
OPENEYE Name: 1-nitro-2-[(E)-(5-nitro-2-furyl)methyleneamino]guanidine
IUPAC Name: 1-nitro-2-[(E)-(5-nitrofuran-2-yl)methylideneamino]guanidine
SYSTEMATIC NAME: 1-nitro-2-[(E)-(5-nitrofuran-2-yl)methylideneamino]guanidine
MOLECULAR FORMULA: C6H6N6O5
MOLECULAR WEIGHT: 242.14904
SMILES: C1=C(OC(=C1)[N+](=O)[O-])/C=N/N=C(\N)/N[N+](=O)[O-]
Structure:
CAS RN: 52481-47-7
CAS Name: 2,4-dichloro-6-(1-piperidinylmethyl)phenol hydrochloride
OPENEYE Name: 2,4-dichloro-6-(1-piperidylmethyl)phenol hydrochloride
IUPAC Name: 2,4-dichloro-6-(piperidin-1-ylmethyl)phenol hydrochloride
SYSTEMATIC NAME: 2,4-bis(chloranyl)-6-(piperidin-1-ylmethyl)phenol hydrochloride
MOLECULAR FORMULA: C12H16Cl3NO
MOLECULAR WEIGHT: 296.62054
SMILES: C1CCN(CC1)CC2=CC(=CC(=C2O)Cl)Cl.Cl
Structure:
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