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

Systemtic Name: tert-butyl 4-[4-methyl-7-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzoate Openeye Name: tert-butyl 4-[4-methyl-7-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzoate CAS Name: 4-[4-methyl-7-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]-8-pyrido[2,3-d]pyrimidinyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-methyl-7-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzoate Traditional Name: 4-[7-keto-4-methyl-2-[4-(2-pyrimidyl)piperazino]pyrido[2,3-d]pyrimidin-8-yl]benzoic acid tert-butyl ester Formula: C27H29N7O3 MolecularWeight: 499.56426

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H29N7O3/c1-18-21-10-11-22(35)34(20-8-6-19(7-9-20)24(36)37-27(2,3)4)23(21)31-26(30-18)33-16-14-32(15-17-33)25-28-12-5-13-29-25/h5-13H,14-17H2,1-4H3