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

Systemtic Name: ethyl 1-[3-ethyl-8-(pyridin-4-ylmethylamino)-2-sulfanylidene-1H-imidazo[4,5-g]quinazolin-6-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-ethyl-8-(4-pyridylmethylamino)-2-thioxo-1H-imidazo[4,5-g]quinazolin-6-yl]piperidine-4-carboxylate CAS Name: 1-[3-ethyl-8-(pyridin-4-ylmethylamino)-2-sulfanylidene-1H-imidazo[4,5-g]quinazolin-6-yl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-ethyl-8-(pyridin-4-ylmethylamino)-2-sulfanylidene-1H-imidazo[4,5-g]quinazolin-6-yl]piperidine-4-carboxylate Traditional Name: 1-[3-ethyl-8-(4-pyridylmethylamino)-2-thioxo-1H-imidazo[4,5-g]quinazolin-6-yl]isonipecotic acid ethyl ester Formula: C25H29N7O2S MolecularWeight: 491.60846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N7O2S/c1-3-32-21-14-19-18(13-20(21)29-25(32)35)22(27-15-16-5-9-26-10-6-16)30-24(28-19)31-11-7-17(8-12-31)23(33)34-4-2/h5-6,9-10,13-14,17H,3-4,7-8,11-12,15H2,1-2H3,(H,29,35)(H,27,28,30)