4-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-N-(4-methoxyphenyl)benzamide

Systemtic Name: 4-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-N-(4-methoxyphenyl)benzamide Openeye Name: 4-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-N-(4-methoxyphenyl)benzamide CAS Name: 4-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]-N-(4-methoxyphenyl)benzamide Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C20H19N5O4S/c1-29-15-8-6-14(7-9-15)23-19(28)12-2-4-13(5-3-12)22-18(27)11-30-20-24-16(21)10-17(26)25-20/h2-10H,11H2,1H3,(H,22,27)(H,23,28)(H3,21,24,25,26)