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

Systemtic Name: 3-(3-methoxypropyl)-5-methyl-2-[(4-methylphenyl)methylsulfanyl]-7-phenyl-pyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 3-(3-methoxypropyl)-5-methyl-7-phenyl-2-(p-tolylmethylsulfanyl)pyrrolo[3,2-d]pyrimidin-4-one CAS Name: 3-(3-methoxypropyl)-5-methyl-2-[(4-methylphenyl)methylthio]-7-phenyl-4-pyrrolo[3,2-d]pyrimidinone IUPAC Name: 3-(3-methoxypropyl)-5-methyl-2-[(4-methylphenyl)methylsulfanyl]-7-phenylpyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 3-(3-methoxypropyl)-5-methyl-2-[(4-methylbenzyl)thio]-7-phenyl-pyrrolo[3,2-d]pyrimidin-4-one Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CCCOC)N(C=C3C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CCCOC)N(C=C3C4=CC=CC=C4)C

InChI

InChI=1S/C25H27N3O2S/c1-18-10-12-19(13-11-18)17-31-25-26-22-21(20-8-5-4-6-9-20)16-27(2)23(22)24(29)28(25)14-7-15-30-3/h4-6,8-13,16H,7,14-15,17H2,1-3H3