7-ethynyl-6-methyl-5-phenyl-3-(phenylmethyl)pyrrolo[3,2-d]pyrimidin-4-one

Systemtic Name: 7-ethynyl-6-methyl-5-phenyl-3-(phenylmethyl)pyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 3-benzyl-7-ethynyl-6-methyl-5-phenyl-pyrrolo[3,2-d]pyrimidin-4-one CAS Name: 7-ethynyl-6-methyl-5-phenyl-3-(phenylmethyl)-4-pyrrolo[3,2-d]pyrimidinone IUPAC Name: 3-benzyl-7-ethynyl-6-methyl-5-phenylpyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 3-benzyl-7-ethynyl-6-methyl-5-phenyl-pyrrolo[3,2-d]pyrimidin-4-one Formula: C22H17N3O MolecularWeight: 339.38988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=CC=CC=C3)C(=O)N(C=N2)CC4=CC=CC=C4)C#C

Isomeric SMILES

CC1=C(C2=C(N1C3=CC=CC=C3)C(=O)N(C=N2)CC4=CC=CC=C4)C#C

InChI

InChI=1S/C22H17N3O/c1-3-19-16(2)25(18-12-8-5-9-13-18)21-20(19)23-15-24(22(21)26)14-17-10-6-4-7-11-17/h1,4-13,15H,14H2,2H3