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

Systemtic Name: tert-butyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate Openeye Name: tert-butyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate CAS Name: 2-[4-(2-pyrimidinyl)-1-piperazinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[4-(2-pyrimidyl)piperazino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl ester Formula: C20H27N7O2 MolecularWeight: 397.47408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=NC(=NC=C2C1)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=NC(=NC=C2C1)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H27N7O2/c1-20(2,3)29-19(28)27-8-5-16-15(14-27)13-23-18(24-16)26-11-9-25(10-12-26)17-21-6-4-7-22-17/h4,6-7,13H,5,8-12,14H2,1-3H3