2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)ethanamide

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)ethanamide Openeye Name: 2-(6-amino-4-oxo-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1-phenethyl-2-pyrimidinyl)thio]-N-(1-phenylethyl)acetamide IUPAC Name: 2-(6-amino-4-oxo-1-phenethylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide Traditional Name: 2-[(6-amino-4-keto-1-phenethyl-pyrimidin-2-yl)thio]-N-(1-phenylethyl)acetamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2CCC3=CC=CC=C3)N

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2CCC3=CC=CC=C3)N

InChI

InChI=1S/C22H24N4O2S/c1-16(18-10-6-3-7-11-18)24-21(28)15-29-22-25-20(27)14-19(23)26(22)13-12-17-8-4-2-5-9-17/h2-11,14,16H,12-13,15,23H2,1H3,(H,24,28)