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

Systemtic Name: tert-butyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]benzoate Openeye Name: tert-butyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-7-oxo-pyrido[2,3-d]pyrimidin-8-yl]benzoate CAS Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-7-oxo-8-pyrido[2,3-d]pyrimidinyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzoate Traditional Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-keto-4-methyl-pyrido[2,3-d]pyrimidin-8-yl]benzoic acid tert-butyl ester Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=O)N(C2=NC(=N1)N3CCC4=CC=CC=C4C3)C5=CC=C(C=C5)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C2C=CC(=O)N(C2=NC(=N1)N3CCC4=CC=CC=C4C3)C5=CC=C(C=C5)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H28N4O3/c1-18-23-13-14-24(33)32(22-11-9-20(10-12-22)26(34)35-28(2,3)4)25(23)30-27(29-18)31-16-15-19-7-5-6-8-21(19)17-31/h5-14H,15-17H2,1-4H3