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

Systemtic Name: 3-(4-chlorophenyl)-2,5-dimethyl-6-(phenylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 6-benzyl-3-(4-chlorophenyl)-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 3-(4-chlorophenyl)-2,5-dimethyl-6-(phenylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 6-benzyl-3-(4-chlorophenyl)-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 6-benzyl-3-(4-chlorophenyl)-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one Formula: C21H18ClN3O MolecularWeight: 363.84012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=O)N(C(=N2)C)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(NC2=C1C(=O)N(C(=N2)C)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H18ClN3O/c1-13-18(12-15-6-4-3-5-7-15)24-20-19(13)21(26)25(14(2)23-20)17-10-8-16(22)9-11-17/h3-11,24H,12H2,1-2H3