3,3,4a-trimethyl-1-sulfanylidene-4,5-dihydro-2H-pyrimido[1,6-a]benzimidazole-8-carboxylic acid

Systemtic Name: 3,3,4a-trimethyl-1-sulfanylidene-4,5-dihydro-2H-pyrimido[1,6-a]benzimidazole-8-carboxylic acid Openeye Name: 3,3,4a-trimethyl-1-thioxo-4,5-dihydro-2H-pyrimido[1,6-a]benzimidazole-8-carboxylic acid CAS Name: 3,3,4a-trimethyl-1-sulfanylidene-4,5-dihydro-2H-pyrimido[1,6-a]benzimidazole-8-carboxylic acid IUPAC Name: 3,3,4a-trimethyl-1-sulfanylidene-4,5-dihydro-2H-pyrimido[1,6-a]benzimidazole-8-carboxylic acid Traditional Name: 3,3,4a-trimethyl-1-thioxo-4,5-dihydro-2H-pyrimido[1,6-a]benzimidazole-8-carboxylic acid Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2(NC3=C(N2C(=S)N1)C=C(C=C3)C(=O)O)C)C

Isomeric SMILES

CC1(CC2(NC3=C(N2C(=S)N1)C=C(C=C3)C(=O)O)C)C

InChI

InChI=1S/C14H17N3O2S/c1-13(2)7-14(3)15-9-5-4-8(11(18)19)6-10(9)17(14)12(20)16-13/h4-6,15H,7H2,1-3H3,(H,16,20)(H,18,19)