4,4-dimethyl-7-[[2-(quinazolin-6-ylamino)pyridin-3-yl]carbonylamino]-1,3-dihydroisoquinoline-2-carboxylic acid

Systemtic Name: 4,4-dimethyl-7-[[2-(quinazolin-6-ylamino)pyridin-3-yl]carbonylamino]-1,3-dihydroisoquinoline-2-carboxylic acid Openeye Name: 4,4-dimethyl-7-[[2-(quinazolin-6-ylamino)pyridine-3-carbonyl]amino]-1,3-dihydroisoquinoline-2-carboxylic acid CAS Name: 4,4-dimethyl-7-[[oxo-[2-(6-quinazolinylamino)-3-pyridinyl]methyl]amino]-1,3-dihydroisoquinoline-2-carboxylic acid IUPAC Name: 4,4-dimethyl-7-[[2-(quinazolin-6-ylamino)pyridine-3-carbonyl]amino]-1,3-dihydroisoquinoline-2-carboxylic acid Traditional Name: 4,4-dimethyl-7-[[2-(quinazolin-6-ylamino)nicotinoyl]amino]-1,3-dihydroisoquinoline-2-carboxylic acid Formula: C26H24N6O3 MolecularWeight: 468.50716

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NC4=CC5=CN=CN=C5C=C4)C(=O)O)C

Isomeric SMILES

CC1(CN(CC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NC4=CC5=CN=CN=C5C=C4)C(=O)O)C

InChI

InChI=1S/C26H24N6O3/c1-26(2)14-32(25(34)35)13-17-11-19(5-7-21(17)26)31-24(33)20-4-3-9-28-23(20)30-18-6-8-22-16(10-18)12-27-15-29-22/h3-12,15H,13-14H2,1-2H3,(H,28,30)(H,31,33)(H,34,35)