4-[6-[(6-bromanyl-8-cyclopentyl-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]azepane-1-carboxylic acid

Systemtic Name: 4-[6-[(6-bromanyl-8-cyclopentyl-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]azepane-1-carboxylic acid Openeye Name: 4-[6-[(6-bromo-8-cyclopentyl-5-methyl-7-oxo-pyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridyl]azepane-1-carboxylic acid CAS Name: 4-[6-[(6-bromo-8-cyclopentyl-5-methyl-7-oxo-2-pyrido[2,3-d]pyrimidinyl)amino]-3-pyridinyl]-1-azepanecarboxylic acid IUPAC Name: 4-[6-[(6-bromo-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]azepane-1-carboxylic acid Traditional Name: 4-[6-[(6-bromo-8-cyclopentyl-7-keto-5-methyl-pyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridyl]azepane-1-carboxylic acid Formula: C25H29BrN6O3 MolecularWeight: 541.44016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)C4CCCN(CC4)C(=O)O)C5CCCC5)Br

Isomeric SMILES

CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)C4CCCN(CC4)C(=O)O)C5CCCC5)Br

InChI

InChI=1S/C25H29BrN6O3/c1-15-19-14-28-24(30-22(19)32(23(33)21(15)26)18-6-2-3-7-18)29-20-9-8-17(13-27-20)16-5-4-11-31(12-10-16)25(34)35/h8-9,13-14,16,18H,2-7,10-12H2,1H3,(H,34,35)(H,27,28,29,30)