1-methyl-2-prop-2-ynylsulfanyl-5-(3,4,5-trimethoxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione

Systemtic Name: 1-methyl-2-prop-2-ynylsulfanyl-5-(3,4,5-trimethoxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione Openeye Name: 1-methyl-2-prop-2-ynylsulfanyl-5-(3,4,5-trimethoxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione CAS Name: 1-methyl-2-(prop-2-ynylthio)-5-(3,4,5-trimethoxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione IUPAC Name: 1-methyl-2-prop-2-ynylsulfanyl-5-(3,4,5-trimethoxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione Traditional Name: 1-methyl-2-(propargylthio)-5-(3,4,5-trimethoxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-quinone Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(CC(=O)N2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)N=C1SCC#C

Isomeric SMILES

CN1C2=C(C(CC(=O)N2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)N=C1SCC#C

InChI

InChI=1S/C20H21N3O5S/c1-6-7-29-20-22-19(25)16-12(10-15(24)21-18(16)23(20)2)11-8-13(26-3)17(28-5)14(9-11)27-4/h1,8-9,12H,7,10H2,2-5H3,(H,21,24)