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

Systemtic Name: tert-butyl 4-[4-[(6-bromanyl-8-ethyl-4-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(6-bromo-8-ethyl-4-methyl-7-oxo-pyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[(6-bromo-8-ethyl-4-methyl-7-oxo-2-pyrido[2,3-d]pyrimidinyl)amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(6-bromo-8-ethyl-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(6-bromo-8-ethyl-7-keto-4-methyl-pyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H31BrN6O3 MolecularWeight: 543.45604

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC(=NC(=C2C=C(C1=O)Br)C)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCN1C2=NC(=NC(=C2C=C(C1=O)Br)C)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H31BrN6O3/c1-6-32-21-19(15-20(26)22(32)33)16(2)27-23(29-21)28-17-7-9-18(10-8-17)30-11-13-31(14-12-30)24(34)35-25(3,4)5/h7-10,15H,6,11-14H2,1-5H3,(H,27,28,29)