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

Systemtic Name: 1-methyl-3-[(4-methylsulfanylphenyl)methyl]-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione Openeye Name: 1-methyl-3-[(4-methylsulfanylphenyl)methyl]-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione CAS Name: 1-methyl-3-[[4-(methylthio)phenyl]methyl]-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione IUPAC Name: 1-methyl-3-[(4-methylsulfanylphenyl)methyl]-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione Traditional Name: 1-methyl-3-[4-(methylthio)benzyl]-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-quinone Formula: C25H25N3O2S MolecularWeight: 431.5499

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O2S/c1-26-23-14-16-27(15-6-9-19-7-4-3-5-8-19)18-22(23)24(29)28(25(26)30)17-20-10-12-21(31-2)13-11-20/h3-5,7-8,10-13H,14-18H2,1-2H3