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

Systemtic Name: tert-butyl 2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate Openeye Name: tert-butyl 2-[4-(3-pyridylmethyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate CAS Name: 2-[4-(3-pyridinylmethyl)-1-piperazinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[4-(3-pyridylmethyl)piperazino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl ester Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=NC(=NC=C2C1)N3CCN(CC3)CC4=CN=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=NC(=NC=C2C1)N3CCN(CC3)CC4=CN=CC=C4

InChI

InChI=1S/C22H30N6O2/c1-22(2,3)30-21(29)28-8-6-19-18(16-28)14-24-20(25-19)27-11-9-26(10-12-27)15-17-5-4-7-23-13-17/h4-5,7,13-14H,6,8-12,15-16H2,1-3H3