1-[3-ethyl-8-(pyridin-4-ylmethylamino)-2-sulfanylidene-1H-imidazo[4,5-g]quinazolin-6-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-ethyl-8-(pyridin-4-ylmethylamino)-2-sulfanylidene-1H-imidazo[4,5-g]quinazolin-6-yl]piperidine-4-carboxylic acid Openeye Name: 1-[3-ethyl-8-(4-pyridylmethylamino)-2-thioxo-1H-imidazo[4,5-g]quinazolin-6-yl]piperidine-4-carboxylic acid CAS Name: 1-[3-ethyl-8-(pyridin-4-ylmethylamino)-2-sulfanylidene-1H-imidazo[4,5-g]quinazolin-6-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-ethyl-8-(pyridin-4-ylmethylamino)-2-sulfanylidene-1H-imidazo[4,5-g]quinazolin-6-yl]piperidine-4-carboxylic acid Traditional Name: 1-[3-ethyl-8-(4-pyridylmethylamino)-2-thioxo-1H-imidazo[4,5-g]quinazolin-6-yl]isonipecotic acid Formula: C23H25N7O2S MolecularWeight: 463.5553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C3C(=C2)N=C(N=C3NCC4=CC=NC=C4)N5CCC(CC5)C(=O)O)NC1=S

Isomeric SMILES

CCN1C2=C(C=C3C(=C2)N=C(N=C3NCC4=CC=NC=C4)N5CCC(CC5)C(=O)O)NC1=S

InChI

InChI=1S/C23H25N7O2S/c1-2-30-19-12-17-16(11-18(19)27-23(30)33)20(25-13-14-3-7-24-8-4-14)28-22(26-17)29-9-5-15(6-10-29)21(31)32/h3-4,7-8,11-12,15H,2,5-6,9-10,13H2,1H3,(H,27,33)(H,31,32)(H,25,26,28)