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

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: 2-(6-amino-4-oxo-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-benzyl-acetamide CAS Name: 2-[(6-amino-4-oxo-1-phenethyl-2-pyrimidinyl)thio]-N-(phenylmethyl)acetamide IUPAC Name: 2-(6-amino-4-oxo-1-phenethylpyrimidin-2-yl)sulfanyl-N-benzylacetamide Traditional Name: 2-[(6-amino-4-keto-1-phenethyl-pyrimidin-2-yl)thio]-N-benzyl-acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=CC(=O)N=C2SCC(=O)NCC3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=CC(=O)N=C2SCC(=O)NCC3=CC=CC=C3)N

InChI

InChI=1S/C21H22N4O2S/c22-18-13-19(26)24-21(25(18)12-11-16-7-3-1-4-8-16)28-15-20(27)23-14-17-9-5-2-6-10-17/h1-10,13H,11-12,14-15,22H2,(H,23,27)