CAS RN: 7150-87-0
CAS Name: 3-[3-(dimethylamino)propyl]-5,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
OPENEYE Name: 3-[3-(dimethylamino)propyl]-5,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
IUPAC Name: 3-[3-(dimethylamino)propyl]-5,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
SYSTEMATIC NAME: 3-[3-(dimethylamino)propyl]-5,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
MOLECULAR FORMULA: C15H26N2O2
MOLECULAR WEIGHT: 266.37914
SMILES: CC1(C2CCC1(C(=O)N(C2=O)CCCN(C)C)C)C
Structure:
CAS RN: 7150-86-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H29N2O+
MOLECULAR WEIGHT: 253.40356
SMILES: CC12CN(CC1(C3CCC2O3)C)CC[N+](C)(C)C
Structure:
CAS RN: 25979-43-5
CAS Name: 4-[[oxo-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]methyl]amino]-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
OPENEYE Name: N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-4-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]benzamide
IUPAC Name: N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-4-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]benzamide
SYSTEMATIC NAME: N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-4-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]benzamide
MOLECULAR FORMULA: C28H29N7O2
MOLECULAR WEIGHT: 495.57556
SMILES: C1CNC(=NC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C5=NCCCN5
Structure:
CAS RN: 4553-87-1
CAS Name: N-[4-[oxo-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]methyl]phenyl]-4-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
OPENEYE Name: 4-(1,4,5,6-tetrahydropyrimidin-2-yl)-N-[4-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoyl]phenyl]benzamide
IUPAC Name: 4-(1,4,5,6-tetrahydropyrimidin-2-yl)-N-[4-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoyl]phenyl]benzamide
SYSTEMATIC NAME: 4-(1,4,5,6-tetrahydropyrimidin-2-yl)-N-[4-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoyl]phenyl]benzamide
MOLECULAR FORMULA: C28H28N6O2
MOLECULAR WEIGHT: 480.56092
SMILES: C1CNC(=NC1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NCCCN5
Structure:
CAS RN: 7207-56-9
CAS Name: acetic acid [3-acetyloxy-5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester
OPENEYE Name: [3-acetoxy-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3-acetyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3-acetyloxy-5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C13H15FN2O7
MOLECULAR WEIGHT: 330.265803
SMILES: CC(=O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)OC(=O)C
Structure:
CAS RN: 1178-74-1
CAS Name: 1,3-bis[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxo-1,3,2$l^{5}-diazaphosphorinan-2-amine
OPENEYE Name: 1,3-bis[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxo-1,3,2$l^{5}-diazaphosphinan-2-amine
IUPAC Name: 1,3-bis[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxo-1,3,2$l^{5}-diazaphosphinan-2-amine
SYSTEMATIC NAME: 1,3-bis[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxidanylidene-1,3,2$l^{5}-diazaphosphinan-2-amine
MOLECULAR FORMULA: C24H26Cl2N3O2P
MOLECULAR WEIGHT: 490.361901
SMILES: COC1=CC=C(C=C1)NP2(=O)N(CCCN2CC3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)Cl
Structure:
CAS RN: 94575-20-9
CAS Name: 2-[2-(2-pyridinyl)ethyl]-1-naphthalenamine
OPENEYE Name: 2-[2-(2-pyridyl)ethyl]naphthalen-1-amine
IUPAC Name: 2-(2-pyridin-2-ylethyl)naphthalen-1-amine
SYSTEMATIC NAME: 2-(2-pyridin-2-ylethyl)naphthalen-1-amine
MOLECULAR FORMULA: C17H16N2
MOLECULAR WEIGHT: 248.32234
SMILES: C1=CC=C2C(=C1)C=CC(=C2N)CCC3=CC=CC=N3
Structure:
CAS RN: 29518-68-1
CAS Name: 2-(1H-benzimidazol-2-yl)ethanamine
OPENEYE Name: 2-(1H-benzimidazol-2-yl)ethanamine
IUPAC Name: 2-(1H-benzimidazol-2-yl)ethanamine
SYSTEMATIC NAME: 2-(1H-benzimidazol-2-yl)ethanamine
MOLECULAR FORMULA: C9H11N3
MOLECULAR WEIGHT: 161.20374
SMILES: C1=CC=C2C(=C1)NC(=N2)CCN
Structure:
CAS RN: 4499-07-4
CAS Name: 2-(1H-benzimidazol-2-yl)ethanamine
OPENEYE Name: 2-(1H-benzimidazol-2-yl)ethanamine
IUPAC Name: 2-(1H-benzimidazol-2-yl)ethanamine
SYSTEMATIC NAME: 2-(1H-benzimidazol-2-yl)ethanamine
MOLECULAR FORMULA: C9H11N3
MOLECULAR WEIGHT: 161.20374
SMILES: C1=CC=C2C(=C1)NC(=N2)CCN
Structure:
CAS RN: 4450-43-5
CAS Name: butane-1,1,4,4-tetracarboxylic acid tetraethyl ester
OPENEYE Name: tetraethyl butane-1,1,4,4-tetracarboxylate
IUPAC Name: tetraethyl butane-1,1,4,4-tetracarboxylate
SYSTEMATIC NAME: tetraethyl butane-1,1,4,4-tetracarboxylate
MOLECULAR FORMULA: C16H26O8
MOLECULAR WEIGHT: 346.37284
SMILES: CCOC(=O)C(CCC(C(=O)OCC)C(=O)OCC)C(=O)OCC
Structure:
CAS RN: 3808-12-6
CAS Name: 3-[bis(2-chloroethyl)amino]-2-(4-methylphenyl)-3-phenyl-1-isoindolone
OPENEYE Name: 3-[bis(2-chloroethyl)amino]-3-phenyl-2-(p-tolyl)isoindolin-1-one
IUPAC Name: 3-[bis(2-chloroethyl)amino]-2-(4-methylphenyl)-3-phenylisoindol-1-one
SYSTEMATIC NAME: 3-[bis(2-chloroethyl)amino]-2-(4-methylphenyl)-3-phenyl-isoindol-1-one
MOLECULAR FORMULA: C25H24Cl2N2O
MOLECULAR WEIGHT: 439.37686
SMILES: CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C4)N(CCCl)CCCl
Structure:
CAS RN: 3879-43-4
CAS Name: 2-(4-methylphenyl)-3-(4-methyl-1-piperazinyl)-3-phenyl-1-isoindolone
OPENEYE Name: 3-(4-methylpiperazin-1-yl)-3-phenyl-2-(p-tolyl)isoindolin-1-one
IUPAC Name: 2-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenylisoindol-1-one
SYSTEMATIC NAME: 2-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenyl-isoindol-1-one
MOLECULAR FORMULA: C26H27N3O
MOLECULAR WEIGHT: 397.51208
SMILES: CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C4)N5CCN(CC5)C
Structure:
CAS RN: 6967-64-2
CAS Name: 2-(3-methylphenyl)-3-phenyl-3-(1-piperidinyl)-1-isoindolone
OPENEYE Name: 2-(m-tolyl)-3-phenyl-3-(1-piperidyl)isoindolin-1-one
IUPAC Name: 2-(3-methylphenyl)-3-phenyl-3-piperidin-1-ylisoindol-1-one
SYSTEMATIC NAME: 2-(3-methylphenyl)-3-phenyl-3-piperidin-1-yl-isoindol-1-one
MOLECULAR FORMULA: C26H26N2O
MOLECULAR WEIGHT: 382.49744
SMILES: CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C4)N5CCCCC5
Structure:
CAS RN: 4406-92-2
CAS Name: 2-acetyloxy-2,2-diphenylacetic acid ethyl ester
OPENEYE Name: ethyl 2-acetoxy-2,2-diphenyl-acetate
IUPAC Name: ethyl 2-acetyloxy-2,2-diphenylacetate
SYSTEMATIC NAME: ethyl 2-acetyloxy-2,2-diphenyl-ethanoate
MOLECULAR FORMULA: C18H18O4
MOLECULAR WEIGHT: 298.33312
SMILES: CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C
Structure:
CAS RN: 1059-45-6
CAS Name: N-(4-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]-2-oxo-1,3,2$l^{5}-diazaphosphorinan-2-amine
OPENEYE Name: N-(4-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]-2-oxo-1,3,2$l^{5}-diazaphosphinan-2-amine
IUPAC Name: N-(4-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]-2-oxo-1,3,2$l^{5}-diazaphosphinan-2-amine
SYSTEMATIC NAME: N-(4-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]-2-oxidanylidene-1,3,2$l^{5}-diazaphosphinan-2-amine
MOLECULAR FORMULA: C23H23Cl3N3OP
MOLECULAR WEIGHT: 494.780981
SMILES: C1CN(P(=O)(N(C1)CC2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)Cl
Structure:
CAS RN: 89851-18-3
CAS Name: 3-[bis(1-aziridinyl)phosphorylamino]-1-propanol
OPENEYE Name: 3-[bis(aziridin-1-yl)phosphorylamino]propan-1-ol
IUPAC Name: 3-[bis(aziridin-1-yl)phosphorylamino]propan-1-ol
SYSTEMATIC NAME: 3-[bis(aziridin-1-yl)phosphorylamino]propan-1-ol
MOLECULAR FORMULA: C7H16N3O2P
MOLECULAR WEIGHT: 205.194601
SMILES: C1CN1P(=O)(NCCCO)N2CC2
Structure:
CAS RN: 6952-84-7
CAS Name: iodo-[2-(iodomercurio)-9-oxabicyclo[3.3.1]nonan-6-yl]mercury
OPENEYE Name: iodo-[2-(iodomercurio)-9-oxabicyclo[3.3.1]nonan-6-yl]mercury
IUPAC Name: iodo-[2-(iodomercurio)-9-oxabicyclo[3.3.1]nonan-6-yl]mercury
SYSTEMATIC NAME: iodanyl-[2-(iodanylmercurio)-9-oxabicyclo[3.3.1]nonan-6-yl]mercury
MOLECULAR FORMULA: C8H12Hg2I2O
MOLECULAR WEIGHT: 779.16922
SMILES: C1CC(C2CCC(C1O2)[Hg]I)[Hg]I
Structure:
CAS RN: 19510-26-0
CAS Name: bis(2-naphthalenyl)mercury
OPENEYE Name: bis(2-naphthyl)mercury
IUPAC Name: dinaphthalen-2-ylmercury
SYSTEMATIC NAME: dinaphthalen-2-ylmercury
MOLECULAR FORMULA: C20H14Hg
MOLECULAR WEIGHT: 454.91516
SMILES: C1=CC=C2C=C(C=CC2=C1)[Hg]C3=CC4=CC=CC=C4C=C3
Structure:
CAS RN: 3599-89-1
CAS Name: propanimidamide
OPENEYE Name: propanamidine
IUPAC Name: propanimidamide
SYSTEMATIC NAME: propanimidamide
MOLECULAR FORMULA: C3H8N2
MOLECULAR WEIGHT: 72.10902
SMILES: CCC(=N)N
Structure:
CAS RN: 39800-84-5
CAS Name: propanimidamide
OPENEYE Name: propanamidine
IUPAC Name: propanimidamide
SYSTEMATIC NAME: propanimidamide
MOLECULAR FORMULA: C3H8N2
MOLECULAR WEIGHT: 72.10902
SMILES: CCC(=N)N
Structure:
CAS RN: 42558-81-6
CAS Name: 1-[(2-amino-1-oxoethyl)amino]-1-cyclopentanecarboxylic acid
OPENEYE Name: 1-[(2-aminoacetyl)amino]cyclopentanecarboxylic acid
IUPAC Name: 1-[(2-aminoacetyl)amino]cyclopentane-1-carboxylic acid
SYSTEMATIC NAME: 1-(2-azanylethanoylamino)cyclopentane-1-carboxylic acid
MOLECULAR FORMULA: C8H14N2O3
MOLECULAR WEIGHT: 186.20836
SMILES: C1CCC(C1)(C(=O)O)NC(=O)CN
Structure:
CAS RN: 13239-45-7
CAS Name: N1',N3'-bis[4-[amino(methylimino)methyl]phenyl]benzene-1,3-dicarboximidamide
OPENEYE Name: N1',N3'-bis[4-(N'-methylcarbamimidoyl)phenyl]benzene-1,3-dicarboxamidine
IUPAC Name: 1-N',3-N'-bis[4-(N'-methylcarbamimidoyl)phenyl]benzene-1,3-dicarboximidamide
SYSTEMATIC NAME: N1',N3'-bis[4-(N'-methylcarbamimidoyl)phenyl]benzene-1,3-dicarboximidamide
MOLECULAR FORMULA: C24H26N8
MOLECULAR WEIGHT: 426.51684
SMILES: CN=C(C1=CC=C(C=C1)N=C(C2=CC(=CC=C2)C(=NC3=CC=C(C=C3)C(=NC)N)N)N)N
Structure:
CAS RN: 13005-07-7
CAS Name: N1,N4-bis[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
OPENEYE Name: N1,N4-bis[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]terephthalamide
IUPAC Name: 1-N,4-N-bis[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
SYSTEMATIC NAME: N1,N4-bis[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
MOLECULAR FORMULA: C28H28N6O2
MOLECULAR WEIGHT: 480.56092
SMILES: CN1CCN=C1C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5C
Structure:
CAS RN: 21696-32-2
CAS Name: N1,N4-bis[4-[(3-methoxypropylamino)-methyliminomethyl]phenyl]-2-nitrobenzene-1,4-dicarboxamide
OPENEYE Name: N1,N4-bis[4-[N-(3-methoxypropyl)-N'-methyl-carbamimidoyl]phenyl]-2-nitro-terephthalamide
IUPAC Name: 1-N,4-N-bis[4-[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]phenyl]-2-nitrobenzene-1,4-dicarboxamide
SYSTEMATIC NAME: N1,N4-bis[4-[N-(3-methoxypropyl)-N'-methyl-carbamimidoyl]phenyl]-2-nitro-benzene-1,4-dicarboxamide
MOLECULAR FORMULA: C32H39N7O6
MOLECULAR WEIGHT: 617.69536
SMILES: CN=C(C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=NC)NCCCOC)[N+](=O)[O-])NCCCOC
Structure:
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