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

Systemtic Name: methyl 2-[[6-azanyl-5-[(3,4-dimethoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]butanoate Openeye Name: methyl 2-[[6-amino-5-[(3,4-dimethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoate CAS Name: 2-[[6-amino-5-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]butanoic acid methyl ester IUPAC Name: methyl 2-[[6-amino-5-[(3,4-dimethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoate Traditional Name: 2-[[6-amino-4-keto-5-(veratroylamino)-1H-pyrimidin-2-yl]thio]butyric acid methyl ester Formula: C18H22N4O6S MolecularWeight: 422.45548

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCC(C(=O)OC)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H22N4O6S/c1-5-12(17(25)28-4)29-18-21-14(19)13(16(24)22-18)20-15(23)9-6-7-10(26-2)11(8-9)27-3/h6-8,12H,5H2,1-4H3,(H,20,23)(H3,19,21,22,24)