3-[(4-imidazol-1-ylphenyl)methyl]-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione

Systemtic Name: 3-[(4-imidazol-1-ylphenyl)methyl]-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione Openeye Name: 3-[(4-imidazol-1-ylphenyl)methyl]-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione CAS Name: 3-[[4-(1-imidazolyl)phenyl]methyl]-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione IUPAC Name: 3-[(4-imidazol-1-ylphenyl)methyl]-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione Traditional Name: 3-(4-imidazol-1-ylbenzyl)-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-quinone Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CN(CC2)CC#CC3=CC=CC=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

CN1C2=C(CN(CC2)CC#CC3=CC=CC=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C27H25N5O2/c1-29-25-13-16-30(15-5-8-21-6-3-2-4-7-21)19-24(25)26(33)32(27(29)34)18-22-9-11-23(12-10-22)31-17-14-28-20-31/h2-4,6-7,9-12,14,17,20H,13,15-16,18-19H2,1H3