1,3-thiazol-2-ylmethyl N-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]methyl]carbamate

Systemtic Name: 1,3-thiazol-2-ylmethyl N-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]methyl]carbamate Openeye Name: thiazol-2-ylmethyl N-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]carbamate CAS Name: N-[[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]methyl]carbamic acid 2-thiazolylmethyl ester IUPAC Name: 1,3-thiazol-2-ylmethyl N-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]carbamate Traditional Name: N-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzyl]carbamic acid thiazol-2-ylmethyl ester Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)CNC(=O)OCC4=NC=CS4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)CNC(=O)OCC4=NC=CS4

InChI

InChI=1S/C21H22N6O3S/c28-19(26-9-11-27(12-10-26)20-23-6-1-7-24-20)17-4-2-16(3-5-17)14-25-21(29)30-15-18-22-8-13-31-18/h1-8,13H,9-12,14-15H2,(H,25,29)