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

Systemtic Name: methyl 6-[[1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperidin-4-yl]amino]pyridine-3-carboxylate Openeye Name: methyl 6-[[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]amino]pyridine-3-carboxylate CAS Name: 6-[[1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-piperidinyl]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]amino]pyridine-3-carboxylate Traditional Name: 6-[[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]amino]nicotinic acid methyl ester Formula: C22H26N6O4 MolecularWeight: 438.47964

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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)OC)N)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O4/c1-30-17-10-15-16(11-18(17)31-2)26-22(27-20(15)23)28-8-6-14(7-9-28)25-19-5-4-13(12-24-19)21(29)32-3/h4-5,10-12,14H,6-9H2,1-3H3,(H,24,25)(H2,23,26,27)