6-(3-phenylprop-2-ynyl)-3-[(4-thiophen-2-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

Systemtic Name: 6-(3-phenylprop-2-ynyl)-3-[(4-thiophen-2-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one Openeye Name: 6-(3-phenylprop-2-ynyl)-3-[[4-(2-thienyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one CAS Name: 6-(3-phenylprop-2-ynyl)-3-[(4-thiophen-2-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one IUPAC Name: 6-(3-phenylprop-2-ynyl)-3-[(4-thiophen-2-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one Traditional Name: 6-(3-phenylprop-2-ynyl)-3-[4-(2-thienyl)benzyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one Formula: C27H23N3OS MolecularWeight: 437.55602

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1N=CN(C2=O)CC3=CC=C(C=C3)C4=CC=CS4)CC#CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=C1N=CN(C2=O)CC3=CC=C(C=C3)C4=CC=CS4)CC#CC5=CC=CC=C5

InChI

InChI=1S/C27H23N3OS/c31-27-24-19-29(15-4-8-21-6-2-1-3-7-21)16-14-25(24)28-20-30(27)18-22-10-12-23(13-11-22)26-9-5-17-32-26/h1-3,5-7,9-13,17,20H,14-16,18-19H2