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

Systemtic Name: 6-[(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-piperidin-4-yl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[(4-amino-6,7-dimethoxy-quinazolin-2-yl)-(4-piperidyl)amino]pyridine-3-carboxylic acid CAS Name: 6-[(4-amino-6,7-dimethoxy-2-quinazolinyl)-(4-piperidinyl)amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-piperidin-4-ylamino]pyridine-3-carboxylic acid Traditional Name: 6-[(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)N(C3CCNCC3)C4=NC=C(C=C4)C(=O)O)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N(C3CCNCC3)C4=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(13-5-7-23-8-6-13)18-4-3-12(11-24-18)20(28)29/h3-4,9-11,13,23H,5-8H2,1-2H3,(H,28,29)(H2,22,25,26)