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

Systemtic Name: 4-[6-[(6-bromanyl-8-cyclopentyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazine-1-carboxylic acid Openeye Name: 4-[6-[(6-bromo-8-cyclopentyl-7-oxo-pyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridyl]piperazine-1-carboxylic acid CAS Name: 4-[6-[(6-bromo-8-cyclopentyl-7-oxo-2-pyrido[2,3-d]pyrimidinyl)amino]-3-pyridinyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[6-[(6-bromo-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazine-1-carboxylic acid Traditional Name: 4-[6-[(6-bromo-8-cyclopentyl-7-keto-pyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridyl]piperazine-1-carboxylic acid Formula: C22H24BrN7O3 MolecularWeight: 514.37506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=NC(=NC=C3C=C(C2=O)Br)NC4=NC=C(C=C4)N5CCN(CC5)C(=O)O

Isomeric SMILES

C1CCC(C1)N2C3=NC(=NC=C3C=C(C2=O)Br)NC4=NC=C(C=C4)N5CCN(CC5)C(=O)O

InChI

InChI=1S/C22H24BrN7O3/c23-17-11-14-12-25-21(27-19(14)30(20(17)31)15-3-1-2-4-15)26-18-6-5-16(13-24-18)28-7-9-29(10-8-28)22(32)33/h5-6,11-13,15H,1-4,7-10H2,(H,32,33)(H,24,25,26,27)