3-methyl-1-(2-methylpropyl)-5-phenylazanyl-6-[(4-pyridin-2-ylphenyl)methyl]-4-sulfanylidene-pyrrolo[3,4-d]pyrimidin-2-one

Systemtic Name: 3-methyl-1-(2-methylpropyl)-5-phenylazanyl-6-[(4-pyridin-2-ylphenyl)methyl]-4-sulfanylidene-pyrrolo[3,4-d]pyrimidin-2-one Openeye Name: 5-anilino-1-isobutyl-3-methyl-6-[[4-(2-pyridyl)phenyl]methyl]-4-thioxo-pyrrolo[3,4-d]pyrimidin-2-one CAS Name: 5-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-4-sulfanylidene-2-pyrrolo[3,4-d]pyrimidinone IUPAC Name: 5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]-4-sulfanylidenepyrrolo[3,4-d]pyrimidin-2-one Traditional Name: 5-anilino-1-isobutyl-3-methyl-6-[4-(2-pyridyl)benzyl]-4-thioxo-pyrrolo[3,4-d]pyrimidin-2-one Formula: C29H29N5OS MolecularWeight: 495.63846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CN(C(=C2C(=S)N(C1=O)C)NC3=CC=CC=C3)CC4=CC=C(C=C4)C5=CC=CC=N5

Isomeric SMILES

CC(C)CN1C2=CN(C(=C2C(=S)N(C1=O)C)NC3=CC=CC=C3)CC4=CC=C(C=C4)C5=CC=CC=N5

InChI

InChI=1S/C29H29N5OS/c1-20(2)17-34-25-19-33(18-21-12-14-22(15-13-21)24-11-7-8-16-30-24)27(31-23-9-5-4-6-10-23)26(25)28(36)32(3)29(34)35/h4-16,19-20,31H,17-18H2,1-3H3