2-[2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylpropanoylamino]benzamide

Systemtic Name: 2-[2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylpropanoylamino]benzamide Openeye Name: 2-[2-(6-amino-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanylpropanoylamino]benzamide CAS Name: 2-[[2-[(6-amino-4-oxo-1-phenyl-2-pyrimidinyl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 2-[2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylpropanoylamino]benzamide Traditional Name: 2-[2-[(6-amino-4-keto-1-phenyl-pyrimidin-2-yl)thio]propanoylamino]benzamide Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)N)SC2=NC(=O)C=C(N2C3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)N)SC2=NC(=O)C=C(N2C3=CC=CC=C3)N

InChI

InChI=1S/C20H19N5O3S/c1-12(19(28)23-15-10-6-5-9-14(15)18(22)27)29-20-24-17(26)11-16(21)25(20)13-7-3-2-4-8-13/h2-12H,21H2,1H3,(H2,22,27)(H,23,28)