2-[(3-methyl-4-oxidanylidene-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[(3-methyl-4-oxidanylidene-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[(3-methyl-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[(3-methyl-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)thio]-N-phenethylacetamide IUPAC Name: 2-[(3-methyl-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(4-keto-3-methyl-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)thio]-N-phenethyl-acetamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C(=CN2)C3=CC=CC=C3)N=C1SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=C(C(=CN2)C3=CC=CC=C3)N=C1SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2S/c1-27-22(29)21-20(18(14-25-21)17-10-6-3-7-11-17)26-23(27)30-15-19(28)24-13-12-16-8-4-2-5-9-16/h2-11,14,25H,12-13,15H2,1H3,(H,24,28)