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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-1-methyl-2-prop-2-ynylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione Openeye Name: 5-(1,3-benzodioxol-5-yl)-1-methyl-2-prop-2-ynylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione CAS Name: 5-(1,3-benzodioxol-5-yl)-1-methyl-2-(prop-2-ynylthio)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione IUPAC Name: 5-(1,3-benzodioxol-5-yl)-1-methyl-2-prop-2-ynylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione Traditional Name: 5-(1,3-benzodioxol-5-yl)-1-methyl-2-(propargylthio)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-quinone Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(CC(=O)N2)C3=CC4=C(C=C3)OCO4)C(=O)N=C1SCC#C

Isomeric SMILES

CN1C2=C(C(CC(=O)N2)C3=CC4=C(C=C3)OCO4)C(=O)N=C1SCC#C

InChI

InChI=1S/C18H15N3O4S/c1-3-6-26-18-20-17(23)15-11(8-14(22)19-16(15)21(18)2)10-4-5-12-13(7-10)25-9-24-12/h1,4-5,7,11H,6,8-9H2,2H3,(H,19,22)