7-[(4-methylphenyl)methyl]-5,6-diphenyl-1H-pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 7-[(4-methylphenyl)methyl]-5,6-diphenyl-1H-pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 5,6-diphenyl-7-(p-tolylmethyl)-1H-pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 7-[(4-methylphenyl)methyl]-5,6-diphenyl-1H-pyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 7-[(4-methylphenyl)methyl]-5,6-diphenyl-1H-pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 7-(4-methylbenzyl)-5,6-diphenyl-1H-pyrrolo[2,3-d]pyrimidin-4-one Formula: C26H21N3O MolecularWeight: 391.46444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C3=C2NC=NC3=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C3=C2NC=NC3=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3O/c1-18-12-14-19(15-13-18)16-29-24(21-10-6-3-7-11-21)22(20-8-4-2-5-9-20)23-25(29)27-17-28-26(23)30/h2-15,17H,16H2,1H3,(H,27,28,30)