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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2NC3=C(N2C(=S)N1)C=C(C=C3)C(=O)O

Isomeric SMILES

CC1CC2NC3=C(N2C(=S)N1)C=C(C=C3)C(=O)O

InChI

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