N-[6-azanyl-2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[6-azanyl-2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[6-amino-4-oxo-2-(p-tolylmethylsulfanyl)-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide CAS Name: N-[6-amino-2-[(4-methylphenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[6-amino-2-[(4-methylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide Traditional Name: N-[6-amino-4-keto-2-[(4-methylbenzyl)thio]-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N4O4S/c1-12-4-6-13(7-5-12)11-30-21-24-18(22)17(20(27)25-21)23-19(26)14-8-9-15(28-2)16(10-14)29-3/h4-10H,11H2,1-3H3,(H,23,26)(H3,22,24,25,27)