4a-methyl-1-sulfanylidene-2,3,4,5-tetrahydropyrimido[1,6-a]benzimidazole-8-carboxylic acid

Systemtic Name: 4a-methyl-1-sulfanylidene-2,3,4,5-tetrahydropyrimido[1,6-a]benzimidazole-8-carboxylic acid Openeye Name: 4a-methyl-1-thioxo-2,3,4,5-tetrahydropyrimido[1,6-a]benzimidazole-8-carboxylic acid CAS Name: 4a-methyl-1-sulfanylidene-2,3,4,5-tetrahydropyrimido[1,6-a]benzimidazole-8-carboxylic acid IUPAC Name: 4a-methyl-1-sulfanylidene-2,3,4,5-tetrahydropyrimido[1,6-a]benzimidazole-8-carboxylic acid Traditional Name: 4a-methyl-1-thioxo-2,3,4,5-tetrahydropyrimido[1,6-a]benzimidazole-8-carboxylic acid Formula: C12H13N3O2S MolecularWeight: 263.31552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCNC(=S)N1C3=C(N2)C=CC(=C3)C(=O)O

Isomeric SMILES

CC12CCNC(=S)N1C3=C(N2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C12H13N3O2S/c1-12-4-5-13-11(18)15(12)9-6-7(10(16)17)2-3-8(9)14-12/h2-3,6,14H,4-5H2,1H3,(H,13,18)(H,16,17)