CAS RN: 30113-11-2
CAS Name: 2-(4,6-diamino-1,3,5-triazin-2-yl)benzenediazonium
OPENEYE Name: 2-(4,6-diamino-1,3,5-triazin-2-yl)benzenediazonium
IUPAC Name: 2-(4,6-diamino-1,3,5-triazin-2-yl)benzenediazonium
SYSTEMATIC NAME: 2-[4,6-bis(azanyl)-1,3,5-triazin-2-yl]benzenediazonium
MOLECULAR FORMULA: C9H8N7+
MOLECULAR WEIGHT: 214.20672
SMILES: C1=CC=C(C(=C1)C2=NC(=NC(=N2)N)N)[N+]#N
Structure:
CAS RN: 6964-70-1
CAS Name: 5-(2-ethoxyethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-(2-ethoxyethyl)-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-(2-ethoxyethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-(2-ethoxyethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C8H12N2O3S
MOLECULAR WEIGHT: 216.25748
SMILES: CCOCCC1C(=O)NC(=S)NC1=O
Structure:
CAS RN: 79797-46-9
CAS Name: 1-[[2-[1,2-bis(4-methoxyphenyl)butylamino]-1-oxoethyl]amino]-3-phenylthiourea
OPENEYE Name: 1-[[2-[1,2-bis(4-methoxyphenyl)butylamino]acetyl]amino]-3-phenyl-thiourea
IUPAC Name: 1-[[2-[1,2-bis(4-methoxyphenyl)butylamino]acetyl]amino]-3-phenylthiourea
SYSTEMATIC NAME: 1-[2-[1,2-bis(4-methoxyphenyl)butylamino]ethanoylamino]-3-phenyl-thiourea
MOLECULAR FORMULA: C27H32N4O3S
MOLECULAR WEIGHT: 492.63298
SMILES: CCC(C1=CC=C(C=C1)OC)C(C2=CC=C(C=C2)OC)NCC(=O)NNC(=S)NC3=CC=CC=C3
Structure:
CAS RN: 65655-76-7
CAS Name: 1-butyl-3-(2-mercaptophenyl)thiourea
OPENEYE Name: 1-butyl-3-(2-sulfanylphenyl)thiourea
IUPAC Name: 1-butyl-3-(2-sulfanylphenyl)thiourea
SYSTEMATIC NAME: 1-butyl-3-(2-sulfanylphenyl)thiourea
MOLECULAR FORMULA: C11H16N2S2
MOLECULAR WEIGHT: 240.38814
SMILES: CCCCNC(=S)NC1=CC=CC=C1S
Structure:
CAS RN: 2267-40-5
CAS Name: 3-chlorosulfonyl-4-fluorobenzoic acid
OPENEYE Name: 3-chlorosulfonyl-4-fluoro-benzoic acid
IUPAC Name: 3-chlorosulfonyl-4-fluorobenzoic acid
SYSTEMATIC NAME: 3-chloranylsulfonyl-4-fluoranyl-benzoic acid
MOLECULAR FORMULA: C7H4ClFO4S
MOLECULAR WEIGHT: 238.620663
SMILES: C1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)F
Structure:
CAS RN: 4851-12-1
CAS Name: 1-[2-hydroxy-3-(4-methyl-1-piperazinyl)propyl]-2-pyrrolidinone
OPENEYE Name: 1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]pyrrolidin-2-one
IUPAC Name: 1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]pyrrolidin-2-one
SYSTEMATIC NAME: 1-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propyl]pyrrolidin-2-one
MOLECULAR FORMULA: C12H23N3O2
MOLECULAR WEIGHT: 241.32992
SMILES: CN1CCN(CC1)CC(CN2CCCC2=O)O
Structure:
CAS RN: 59547-41-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H16N2
MOLECULAR WEIGHT: 212.29024
SMILES: C1CC2=CC=C3N2CCN4C1=CC=C4CC3
Structure:
CAS RN: 3490-50-4
CAS Name: 1-(4-cyanophenyl)-2-diazonioethenolate
OPENEYE Name: 1-(4-cyanophenyl)-2-diazonio-ethenolate
IUPAC Name: 1-(4-cyanophenyl)-2-diazonioethenolate
SYSTEMATIC NAME: 1-(4-cyanophenyl)-2-diazonio-ethenolate
MOLECULAR FORMULA: C9H5N3O
MOLECULAR WEIGHT: 171.1555
SMILES: C1=CC(=CC=C1C#N)C(=C[N+]#N)[O-]
Structure:
CAS RN: 46064-79-3
CAS Name: 3-amino-4-bromobenzoic acid methyl ester
OPENEYE Name: methyl 3-amino-4-bromo-benzoate
IUPAC Name: methyl 3-amino-4-bromobenzoate
SYSTEMATIC NAME: methyl 3-azanyl-4-bromanyl-benzoate
MOLECULAR FORMULA: C8H8BrNO2
MOLECULAR WEIGHT: 230.05862
SMILES: COC(=O)C1=CC(=C(C=C1)Br)N
Structure:
CAS RN: 6634-46-4
CAS Name: [[(propan-2-ylamino)-sulfanylidenemethyl]amino]urea
OPENEYE Name: (isopropylcarbamothioylamino)urea
IUPAC Name: (propan-2-ylcarbamothioylamino)urea
SYSTEMATIC NAME: 1-(propan-2-ylcarbamothioylamino)urea
MOLECULAR FORMULA: C5H12N4OS
MOLECULAR WEIGHT: 176.23998
SMILES: CC(C)NC(=S)NNC(=O)N
Structure:
CAS RN: 58554-31-7
CAS Name: N-[[[(4-methylphenyl)-sulfanylidenemethyl]amino]-oxomethyl]-1-naphthalenecarboxamide
OPENEYE Name: N-[(4-methylbenzenecarbothioyl)carbamoyl]naphthalene-1-carboxamide
IUPAC Name: N-[(4-methylbenzenecarbothioyl)carbamoyl]naphthalene-1-carboxamide
SYSTEMATIC NAME: N-[(4-methylphenyl)carbothioylcarbamoyl]naphthalene-1-carboxamide
MOLECULAR FORMULA: C20H16N2O2S
MOLECULAR WEIGHT: 348.41824
SMILES: CC1=CC=C(C=C1)C(=S)NC(=O)NC(=O)C2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 20975-61-5
CAS Name: N-(4-bromo-3-methylphenyl)carbamodithioic acid (4-chlorophenyl)methyl ester
OPENEYE Name: (4-chlorophenyl)methyl N-(4-bromo-3-methyl-phenyl)carbamodithioate
IUPAC Name: (4-chlorophenyl)methyl N-(4-bromo-3-methylphenyl)carbamodithioate
SYSTEMATIC NAME: (4-chlorophenyl)methyl N-(4-bromanyl-3-methyl-phenyl)carbamodithioate
MOLECULAR FORMULA: C15H13BrClNS2
MOLECULAR WEIGHT: 386.75742
SMILES: CC1=C(C=CC(=C1)NC(=S)SCC2=CC=C(C=C2)Cl)Br
Structure:
CAS RN: 6953-55-5
CAS Name: 1,4-dihydroimidazo[4,5-b]pyridine-7-thione
OPENEYE Name: 1,4-dihydroimidazo[4,5-b]pyridine-7-thione
IUPAC Name: 1,4-dihydroimidazo[4,5-b]pyridine-7-thione
SYSTEMATIC NAME: 1,4-dihydroimidazo[4,5-b]pyridine-7-thione
MOLECULAR FORMULA: C6H5N3S
MOLECULAR WEIGHT: 151.189
SMILES: C1=CNC2=C(C1=S)NC=N2
Structure:
CAS RN: 66974-83-2
CAS Name: N-carbamothioylimino-2-(dimethylaminohydrazo)benzamide
OPENEYE Name: N-carbamothioylimino-2-[2-(dimethylamino)hydrazino]benzamide
IUPAC Name: N-carbamothioylimino-2-[2-(dimethylamino)hydrazinyl]benzamide
SYSTEMATIC NAME: N-carbamothioylimino-2-[2-(dimethylamino)hydrazinyl]benzamide
MOLECULAR FORMULA: C10H14N6OS
MOLECULAR WEIGHT: 266.32276
SMILES: CN(C)NNC1=CC=CC=C1C(=O)N=NC(=S)N
Structure:
CAS RN: 84669-07-8
CAS Name: 2-[(carbamothioylhydrazinylidene)methyl]hexanoic acid ethyl ester
OPENEYE Name: ethyl 2-[(carbamothioylhydrazono)methyl]hexanoate
IUPAC Name: ethyl 2-[(carbamothioylhydrazinylidene)methyl]hexanoate
SYSTEMATIC NAME: ethyl 2-[(carbamothioylhydrazinylidene)methyl]hexanoate
MOLECULAR FORMULA: C10H19N3O2S
MOLECULAR WEIGHT: 245.34176
SMILES: CCCCC(C=NNC(=S)N)C(=O)OCC
Structure:
CAS RN: 18520-79-1
CAS Name: 9-(3,4,5-trihydroxy-2-oxanyl)-3H-purine-6-thione
OPENEYE Name: 9-(3,4,5-trihydroxytetrahydropyran-2-yl)-3H-purine-6-thione
IUPAC Name: 9-(3,4,5-trihydroxyoxan-2-yl)-3H-purine-6-thione
SYSTEMATIC NAME: 9-[3,4,5-tris(oxidanyl)oxan-2-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C10H12N4O4S
MOLECULAR WEIGHT: 284.29168
SMILES: C1C(C(C(C(O1)N2C=NC3=C2NC=NC3=S)O)O)O
Structure:
CAS RN: 18520-89-3
CAS Name: 9-(3,4,5-trihydroxy-2-oxanyl)-3H-purine-6-thione
OPENEYE Name: 9-(3,4,5-trihydroxytetrahydropyran-2-yl)-3H-purine-6-thione
IUPAC Name: 9-(3,4,5-trihydroxyoxan-2-yl)-3H-purine-6-thione
SYSTEMATIC NAME: 9-[3,4,5-tris(oxidanyl)oxan-2-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C10H12N4O4S
MOLECULAR WEIGHT: 284.29168
SMILES: C1C(C(C(C(O1)N2C=NC3=C2NC=NC3=S)O)O)O
Structure:
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