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

Systemtic Name: tert-butyl 4-[6-[(6-bromanyl-8-cyclopentyl-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]cycloheptane-1-carboxylate Openeye Name: tert-butyl 4-[6-[(6-bromo-8-cyclopentyl-5-methyl-7-oxo-pyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridyl]cycloheptanecarboxylate CAS Name: 4-[6-[(6-bromo-8-cyclopentyl-5-methyl-7-oxo-2-pyrido[2,3-d]pyrimidinyl)amino]-3-pyridinyl]-1-cycloheptanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-[(6-bromo-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]cycloheptane-1-carboxylate Traditional Name: 4-[6-[(6-bromo-8-cyclopentyl-7-keto-5-methyl-pyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridyl]cycloheptanecarboxylic acid tert-butyl ester Formula: C30H38BrN5O3 MolecularWeight: 596.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)C4CCCC(CC4)C(=O)OC(C)(C)C)C5CCCC5)Br

Isomeric SMILES

CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)C4CCCC(CC4)C(=O)OC(C)(C)C)C5CCCC5)Br

InChI

InChI=1S/C30H38BrN5O3/c1-18-23-17-33-29(35-26(23)36(27(37)25(18)31)22-10-5-6-11-22)34-24-15-14-21(16-32-24)19-8-7-9-20(13-12-19)28(38)39-30(2,3)4/h14-17,19-20,22H,5-13H2,1-4H3,(H,32,33,34,35)