4-[6-[(6-bromanyl-8-cyclopentyl-5-methyl-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-5-methyl-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-5-methyl-7-oxo-pyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridyl]piperazine-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-piperazinecarboxylic acid IUPAC Name: 4-[6-[(6-bromo-8-cyclopentyl-5-methyl-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-5-methyl-pyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridyl]piperazine-1-carboxylic acid Formula: C23H26BrN7O3 MolecularWeight: 528.40164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN(CC4)C(=O)O)C5CCCC5)Br

Isomeric SMILES

CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN(CC4)C(=O)O)C5CCCC5)Br

InChI

InChI=1S/C23H26BrN7O3/c1-14-17-13-26-22(28-20(17)31(21(32)19(14)24)15-4-2-3-5-15)27-18-7-6-16(12-25-18)29-8-10-30(11-9-29)23(33)34/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,33,34)(H,25,26,27,28)