5-methyl-3-(3-methylbutyl)-7-phenyl-2-(phenylmethylsulfanyl)pyrrolo[3,2-d]pyrimidin-4-one

Systemtic Name: 5-methyl-3-(3-methylbutyl)-7-phenyl-2-(phenylmethylsulfanyl)pyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-3-isopentyl-5-methyl-7-phenyl-pyrrolo[3,2-d]pyrimidin-4-one CAS Name: 5-methyl-3-(3-methylbutyl)-7-phenyl-2-(phenylmethylthio)-4-pyrrolo[3,2-d]pyrimidinone IUPAC Name: 2-benzylsulfanyl-5-methyl-3-(3-methylbutyl)-7-phenylpyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 2-(benzylthio)-3-isoamyl-5-methyl-7-phenyl-pyrrolo[3,2-d]pyrimidin-4-one Formula: C25H27N3OS MolecularWeight: 417.56638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C(=CN2C)C3=CC=CC=C3)N=C1SCC4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C(=CN2C)C3=CC=CC=C3)N=C1SCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3OS/c1-18(2)14-15-28-24(29)23-22(21(16-27(23)3)20-12-8-5-9-13-20)26-25(28)30-17-19-10-6-4-7-11-19/h4-13,16,18H,14-15,17H2,1-3H3