5-(1,3-benzodioxol-5-yl)-8,8-dimethyl-2-sulfanylidene-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-8,8-dimethyl-2-sulfanylidene-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 5-(1,3-benzodioxol-5-yl)-8,8-dimethyl-2-thioxo-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione CAS Name: 5-(1,3-benzodioxol-5-yl)-8,8-dimethyl-2-sulfanylidene-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 5-(1,3-benzodioxol-5-yl)-8,8-dimethyl-2-sulfanylidene-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 5-(1,3-benzodioxol-5-yl)-8,8-dimethyl-2-thioxo-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-quinone Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(N2)NC(=S)NC3=O)C4=CC5=C(C=C4)OCO5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(N2)NC(=S)NC3=O)C4=CC5=C(C=C4)OCO5)C(=O)C1)C

InChI

InChI=1S/C20H19N3O4S/c1-20(2)6-10-15(11(24)7-20)14(9-3-4-12-13(5-9)27-8-26-12)16-17(21-10)22-19(28)23-18(16)25/h3-5,14H,6-8H2,1-2H3,(H3,21,22,23,25,28)