9,9-dimethyl-3-sulfanylidene-8,10-dihydro-4H-pyrimido[4,5-c]isoquinoline-1,7-dione

Systemtic Name: 9,9-dimethyl-3-sulfanylidene-8,10-dihydro-4H-pyrimido[4,5-c]isoquinoline-1,7-dione Openeye Name: 9,9-dimethyl-3-thioxo-8,10-dihydro-4H-pyrimido[4,5-c]isoquinoline-1,7-dione CAS Name: 9,9-dimethyl-3-sulfanylidene-8,10-dihydro-4H-pyrimido[4,5-c]isoquinoline-1,7-dione IUPAC Name: 9,9-dimethyl-3-sulfanylidene-8,10-dihydro-4H-pyrimido[4,5-c]isoquinoline-1,7-dione Traditional Name: 9,9-dimethyl-3-thioxo-8,10-dihydro-4H-pyrimid[4,5-c]isoquinoline-1,7-quinone Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C3C(=NC=C2C(=O)C1)NC(=S)NC3=O)C

Isomeric SMILES

CC1(CC2=C3C(=NC=C2C(=O)C1)NC(=S)NC3=O)C

InChI

InChI=1S/C13H13N3O2S/c1-13(2)3-6-7(8(17)4-13)5-14-10-9(6)11(18)16-12(19)15-10/h5H,3-4H2,1-2H3,(H2,14,15,16,18,19)