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

Systemtic Name: 5-methyl-3-(3-methylbutyl)-2-[(4-methylphenyl)methylsulfanyl]-7-phenyl-pyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 3-isopentyl-5-methyl-7-phenyl-2-(p-tolylmethylsulfanyl)pyrrolo[3,2-d]pyrimidin-4-one CAS Name: 5-methyl-3-(3-methylbutyl)-2-[(4-methylphenyl)methylthio]-7-phenyl-4-pyrrolo[3,2-d]pyrimidinone IUPAC Name: 5-methyl-3-(3-methylbutyl)-2-[(4-methylphenyl)methylsulfanyl]-7-phenylpyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 3-isoamyl-5-methyl-2-[(4-methylbenzyl)thio]-7-phenyl-pyrrolo[3,2-d]pyrimidin-4-one Formula: C26H29N3OS MolecularWeight: 431.59296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CCC(C)C)N(C=C3C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CCC(C)C)N(C=C3C4=CC=CC=C4)C

InChI

InChI=1S/C26H29N3OS/c1-18(2)14-15-29-25(30)24-23(22(16-28(24)4)21-8-6-5-7-9-21)27-26(29)31-17-20-12-10-19(3)11-13-20/h5-13,16,18H,14-15,17H2,1-4H3