N-[6-azanyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]-4-methoxy-benzamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]-4-methoxy-benzamide Openeye Name: N-[6-amino-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]-4-methoxy-benzamide CAS Name: N-[6-amino-4-oxo-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]-4-methoxybenzamide IUPAC Name: N-[6-amino-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]-4-methoxybenzamide Traditional Name: N-[6-amino-4-keto-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]-4-methoxy-benzamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H20N4O3S/c1-12(13-6-4-3-5-7-13)28-20-23-17(21)16(19(26)24-20)22-18(25)14-8-10-15(27-2)11-9-14/h3-12H,1-2H3,(H,22,25)(H3,21,23,24,26)