tert-butyl 4-[5-(2-butyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl)pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-(2-butyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl)pyridin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-(2-butyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-(2-butyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl)-2-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(2-butyl-4-keto-pyrido[1,2-a]pyrimidin-3-yl)-2-pyridyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H33N5O3 MolecularWeight: 463.57192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N2C=CC=CC2=N1)C3=CN=C(C=C3)N4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=C(C(=O)N2C=CC=CC2=N1)C3=CN=C(C=C3)N4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H33N5O3/c1-5-6-9-20-23(24(32)31-13-8-7-10-22(31)28-20)19-11-12-21(27-18-19)29-14-16-30(17-15-29)25(33)34-26(2,3)4/h7-8,10-13,18H,5-6,9,14-17H2,1-4H3