tert-butyl 4-[(6-chloranyl-2-methyl-pyrimidin-4-yl)-piperidin-4-yl-methyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(6-chloranyl-2-methyl-pyrimidin-4-yl)-piperidin-4-yl-methyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(6-chloro-2-methyl-pyrimidin-4-yl)-(4-piperidyl)methyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[(6-chloro-2-methyl-4-pyrimidinyl)-(4-piperidinyl)methyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(6-chloro-2-methylpyrimidin-4-yl)-piperidin-4-ylmethyl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-[(6-chloro-2-methyl-pyrimidin-4-yl)-(4-piperidyl)methyl]-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C20H30ClN5O3 MolecularWeight: 423.9369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)Cl)C(C2CCNCC2)N3CCN(CC3=O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC(=CC(=N1)Cl)C(C2CCNCC2)N3CCN(CC3=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H30ClN5O3/c1-13-23-15(11-16(21)24-13)18(14-5-7-22-8-6-14)26-10-9-25(12-17(26)27)19(28)29-20(2,3)4/h11,14,18,22H,5-10,12H2,1-4H3