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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C21H22N4O2S/c22-18-13-19(26)24-21(23-18)28-15-20(27)25(14-17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h1-10,13H,11-12,14-15H2,(H3,22,23,24,26)