ethyl 4-[[6-azanyl-5-[(3,4-dimethoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[6-azanyl-5-[(3,4-dimethoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[6-amino-5-[(3,4-dimethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[6-amino-5-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[6-amino-5-[(3,4-dimethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-3-oxobutanoate Traditional Name: 4-[[6-amino-4-keto-5-(veratroylamino)-1H-pyrimidin-2-yl]thio]-3-keto-butyric acid ethyl ester Formula: C19H22N4O7S MolecularWeight: 450.46558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C19H22N4O7S/c1-4-30-14(25)8-11(24)9-31-19-22-16(20)15(18(27)23-19)21-17(26)10-5-6-12(28-2)13(7-10)29-3/h5-7H,4,8-9H2,1-3H3,(H,21,26)(H3,20,22,23,27)