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

Systemtic Name: tert-butyl 4-[4-methyl-7-oxidanylidene-2-(4-phenylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzoate Openeye Name: tert-butyl 4-[4-methyl-7-oxo-2-(4-phenylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzoate CAS Name: 4-[4-methyl-7-oxo-2-(4-phenyl-1-piperazinyl)-8-pyrido[2,3-d]pyrimidinyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-methyl-7-oxo-2-(4-phenylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]benzoate Traditional Name: 4-[7-keto-4-methyl-2-(4-phenylpiperazino)pyrido[2,3-d]pyrimidin-8-yl]benzoic acid tert-butyl ester Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H31N5O3/c1-20-24-14-15-25(35)34(23-12-10-21(11-13-23)27(36)37-29(2,3)4)26(24)31-28(30-20)33-18-16-32(17-19-33)22-8-6-5-7-9-22/h5-15H,16-19H2,1-4H3