2,5-dimethyl-3-(4-methylphenyl)-6-(phenylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2,5-dimethyl-3-(4-methylphenyl)-6-(phenylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 6-benzyl-2,5-dimethyl-3-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 2,5-dimethyl-3-(4-methylphenyl)-6-(phenylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 6-benzyl-2,5-dimethyl-3-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 6-benzyl-2,5-dimethyl-3-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one Formula: C22H21N3O MolecularWeight: 343.42164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C(=C(N3)CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C(=C(N3)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C22H21N3O/c1-14-9-11-18(12-10-14)25-16(3)23-21-20(22(25)26)15(2)19(24-21)13-17-7-5-4-6-8-17/h4-12,24H,13H2,1-3H3