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

Systemtic Name: 6-methyl-3-[2-(4-methylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-3-[2-(p-tolyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-3-[2-(4-methylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-3-[2-(4-methylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-3-[2-(p-tolyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-one Formula: C16H13N3O MolecularWeight: 263.29392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CN2C=NC3=C(C2=O)C=C(N3)C

Isomeric SMILES

CC1=CC=C(C=C1)C#CN2C=NC3=C(C2=O)C=C(N3)C

InChI

InChI=1S/C16H13N3O/c1-11-3-5-13(6-4-11)7-8-19-10-17-15-14(16(19)20)9-12(2)18-15/h3-6,9-10,18H,1-2H3