tert-butyl 4-[5-(2-oxidanylidenepropyl)-2,6-dipyrrolidin-1-yl-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-(2-oxidanylidenepropyl)-2,6-dipyrrolidin-1-yl-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(5-acetonyl-2,6-dipyrrolidin-1-yl-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 4-[5-(2-oxopropyl)-2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(2-oxopropyl)-2,6-dipyrrolidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-(5-acetonyl-2,6-dipyrrolidino-pyrimidin-4-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C24H38N6O3 MolecularWeight: 458.59692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=C(N=C(N=C1N2CCN(CC2)C(=O)OC(C)(C)C)N3CCCC3)N4CCCC4

Isomeric SMILES

CC(=O)CC1=C(N=C(N=C1N2CCN(CC2)C(=O)OC(C)(C)C)N3CCCC3)N4CCCC4

InChI

InChI=1S/C24H38N6O3/c1-18(31)17-19-20(27-9-5-6-10-27)25-22(29-11-7-8-12-29)26-21(19)28-13-15-30(16-14-28)23(32)33-24(2,3)4/h5-17H2,1-4H3