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

Systemtic Name: tert-butyl 2-[4-(phenylmethyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate Openeye Name: tert-butyl 2-(4-benzylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate CAS Name: 2-[4-(phenylmethyl)-1-piperazinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-benzylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(4-benzylpiperazino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl ester Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O2/c1-23(2,3)30-22(29)28-10-9-20-19(17-28)15-24-21(25-20)27-13-11-26(12-14-27)16-18-7-5-4-6-8-18/h4-8,15H,9-14,16-17H2,1-3H3