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

Systemtic Name: 5-methyl-3-(3-methylbutyl)-2-(2-methylpropylsulfanyl)-7-phenyl-pyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 2-isobutylsulfanyl-3-isopentyl-5-methyl-7-phenyl-pyrrolo[3,2-d]pyrimidin-4-one CAS Name: 5-methyl-3-(3-methylbutyl)-2-(2-methylpropylthio)-7-phenyl-4-pyrrolo[3,2-d]pyrimidinone IUPAC Name: 5-methyl-3-(3-methylbutyl)-2-(2-methylpropylsulfanyl)-7-phenylpyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 3-isoamyl-2-(isobutylthio)-5-methyl-7-phenyl-pyrrolo[3,2-d]pyrimidin-4-one Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C(=CN2C)C3=CC=CC=C3)N=C1SCC(C)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C(=CN2C)C3=CC=CC=C3)N=C1SCC(C)C

InChI

InChI=1S/C22H29N3OS/c1-15(2)11-12-25-21(26)20-19(23-22(25)27-14-16(3)4)18(13-24(20)5)17-9-7-6-8-10-17/h6-10,13,15-16H,11-12,14H2,1-5H3