tert-butyl 2-(2-benzamidopyrimidin-4-yl)-4-oxidanylidene-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate

Systemtic Name: tert-butyl 2-(2-benzamidopyrimidin-4-yl)-4-oxidanylidene-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate Openeye Name: tert-butyl 2-(2-benzamidopyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate CAS Name: 2-(2-benzamido-4-pyrimidinyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-benzamidopyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate Traditional Name: 2-(2-benzamidopyrimidin-4-yl)-4-keto-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1=O)C=C(N2)C3=NC(=NC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1=O)C=C(N2)C3=NC(=NC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O4/c1-23(2,3)32-22(31)28-12-10-16-15(20(28)30)13-18(25-16)17-9-11-24-21(26-17)27-19(29)14-7-5-4-6-8-14/h4-9,11,13,25H,10,12H2,1-3H3,(H,24,26,27,29)