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

Systemtic Name: 3-(3-ethoxypropyl)-5-methyl-2-[(4-methylphenyl)methylsulfanyl]-7-phenyl-pyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 3-(3-ethoxypropyl)-5-methyl-7-phenyl-2-(p-tolylmethylsulfanyl)pyrrolo[3,2-d]pyrimidin-4-one CAS Name: 3-(3-ethoxypropyl)-5-methyl-2-[(4-methylphenyl)methylthio]-7-phenyl-4-pyrrolo[3,2-d]pyrimidinone IUPAC Name: 3-(3-ethoxypropyl)-5-methyl-2-[(4-methylphenyl)methylsulfanyl]-7-phenylpyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 3-(3-ethoxypropyl)-5-methyl-2-[(4-methylbenzyl)thio]-7-phenyl-pyrrolo[3,2-d]pyrimidin-4-one Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C(=CN2C)C3=CC=CC=C3)N=C1SCC4=CC=C(C=C4)C

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C(=CN2C)C3=CC=CC=C3)N=C1SCC4=CC=C(C=C4)C

InChI

InChI=1S/C26H29N3O2S/c1-4-31-16-8-15-29-25(30)24-23(22(17-28(24)3)21-9-6-5-7-10-21)27-26(29)32-18-20-13-11-19(2)12-14-20/h5-7,9-14,17H,4,8,15-16,18H2,1-3H3