tert-butyl N-[4-[[4-(3-oxidanylidene-2-phenyl-piperazin-1-yl)pyrimidin-2-yl]amino]butyl]carbamate

Systemtic Name: tert-butyl N-[4-[[4-(3-oxidanylidene-2-phenyl-piperazin-1-yl)pyrimidin-2-yl]amino]butyl]carbamate Openeye Name: tert-butyl N-[4-[[4-(3-oxo-2-phenyl-piperazin-1-yl)pyrimidin-2-yl]amino]butyl]carbamate CAS Name: N-[4-[[4-(3-oxo-2-phenyl-1-piperazinyl)-2-pyrimidinyl]amino]butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[4-(3-oxo-2-phenylpiperazin-1-yl)pyrimidin-2-yl]amino]butyl]carbamate Traditional Name: N-[4-[[4-(3-keto-2-phenyl-piperazino)pyrimidin-2-yl]amino]butyl]carbamic acid tert-butyl ester Formula: C23H32N6O3 MolecularWeight: 440.53858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCNC1=NC=CC(=N1)N2CCNC(=O)C2C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCNC1=NC=CC(=N1)N2CCNC(=O)C2C3=CC=CC=C3

InChI

InChI=1S/C23H32N6O3/c1-23(2,3)32-22(31)27-13-8-7-12-25-21-26-14-11-18(28-21)29-16-15-24-20(30)19(29)17-9-5-4-6-10-17/h4-6,9-11,14,19H,7-8,12-13,15-16H2,1-3H3,(H,24,30)(H,27,31)(H,25,26,28)