tert-butyl 2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate

Systemtic Name: tert-butyl 2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate Openeye Name: tert-butyl 2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate CAS Name: 2-[4-(1H-benzimidazol-2-ylmethyl)-1-piperazinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[4-(1H-benzimidazol-2-ylmethyl)piperazino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl ester Formula: C24H31N7O2 MolecularWeight: 449.54864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=NC(=NC=C2C1)N3CCN(CC3)CC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=NC(=NC=C2C1)N3CCN(CC3)CC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H31N7O2/c1-24(2,3)33-23(32)31-9-8-18-17(15-31)14-25-22(28-18)30-12-10-29(11-13-30)16-21-26-19-6-4-5-7-20(19)27-21/h4-7,14H,8-13,15-16H2,1-3H3,(H,26,27)