tert-butyl 4-[4-[(8-cyclopentyl-6-iodanyl-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(8-cyclopentyl-6-iodanyl-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(8-cyclopentyl-6-iodanyl-5-methyl-7-oxo-pyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[(8-cyclopentyl-6-iodanyl-5-methyl-7-oxo-2-pyrido[2,3-d]pyrimidinyl)amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(8-cyclopentyl-6-iodanyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(8-cyclopentyl-6-iodanyl-7-keto-5-methyl-pyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H35IN6O3 MolecularWeight: 627.522111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)OC(C)(C)C)C5CCCC5)I

Isomeric SMILES

CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)OC(C)(C)C)C5CCCC5)[124I]

InChI

InChI=1S/C28H35IN6O3/c1-18-22-17-30-26(32-24(22)35(25(36)23(18)29)21-7-5-6-8-21)31-19-9-11-20(12-10-19)33-13-15-34(16-14-33)27(37)38-28(2,3)4/h9-12,17,21H,5-8,13-16H2,1-4H3,(H,30,31,32)/i29-3