propan-2-yl 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: propan-2-yl 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: isopropyl 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-2-[2-(cyclopropylamino)-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-2-[2-(cyclopropylamino)-2-oxoethyl]-1-piperazinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-2-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-2-[2-(cyclopropylamino)-2-keto-ethyl]piperazine-1-carboxylic acid isopropyl ester Formula: C20H26ClN7O3 MolecularWeight: 447.91854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCN(CC1CC(=O)NC2CC2)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

CC(C)OC(=O)N1CCN(CC1CC(=O)NC2CC2)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C20H26ClN7O3/c1-13(2)31-20(30)28-8-7-26(11-15(28)9-18(29)23-14-3-4-14)17-10-16(21)24-19(25-17)27-6-5-22-12-27/h5-6,10,12-15H,3-4,7-9,11H2,1-2H3,(H,23,29)