6-[[1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperidin-4-yl]amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[[1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperidin-4-yl]amino]pyridine-3-carboxylic acid Openeye Name: 6-[[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]amino]pyridine-3-carboxylic acid CAS Name: 6-[[1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-piperidinyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]amino]pyridine-3-carboxylic acid Traditional Name: 6-[[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]amino]nicotinic acid Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)NC4=NC=C(C=C4)C(=O)O)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)NC4=NC=C(C=C4)C(=O)O)N)OC

InChI

InChI=1S/C21H24N6O4/c1-30-16-9-14-15(10-17(16)31-2)25-21(26-19(14)22)27-7-5-13(6-8-27)24-18-4-3-12(11-23-18)20(28)29/h3-4,9-11,13H,5-8H2,1-2H3,(H,23,24)(H,28,29)(H2,22,25,26)