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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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