tert-butyl 4-[4-methyl-7-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzoate

Systemtic Name: tert-butyl 4-[4-methyl-7-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzoate Openeye Name: tert-butyl 4-[4-methyl-7-oxo-2-[4-(2-pyridyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-8-yl]benzoate CAS Name: 4-[4-methyl-7-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]-8-pyrido[2,3-d]pyrimidinyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-methyl-7-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzoate Traditional Name: 4-[7-keto-4-methyl-2-[4-(2-pyridyl)piperazino]pyrido[2,3-d]pyrimidin-8-yl]benzoic acid tert-butyl ester Formula: C28H30N6O3 MolecularWeight: 498.5762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=O)N(C2=NC(=N1)N3CCN(CC3)C4=CC=CC=N4)C5=CC=C(C=C5)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C2C=CC(=O)N(C2=NC(=N1)N3CCN(CC3)C4=CC=CC=N4)C5=CC=C(C=C5)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H30N6O3/c1-19-22-12-13-24(35)34(21-10-8-20(9-11-21)26(36)37-28(2,3)4)25(22)31-27(30-19)33-17-15-32(16-18-33)23-7-5-6-14-29-23/h5-14H,15-18H2,1-4H3