methyl 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-2-(cyclopropylmethylcarbamoyl)piperazine-1-carboxylate

Systemtic Name: methyl 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-2-(cyclopropylmethylcarbamoyl)piperazine-1-carboxylate Openeye Name: methyl 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-2-(cyclopropylmethylcarbamoyl)piperazine-1-carboxylate CAS Name: 4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-2-[(cyclopropylmethylamino)-oxomethyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-2-(cyclopropylmethylcarbamoyl)piperazine-1-carboxylate Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-2-(cyclopropylmethylcarbamoyl)piperazine-1-carboxylic acid methyl ester Formula: C18H22ClN7O3 MolecularWeight: 419.86538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1C(=O)NCC2CC2)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

COC(=O)N1CCN(CC1C(=O)NCC2CC2)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C18H22ClN7O3/c1-29-18(28)26-7-6-24(10-13(26)16(27)21-9-12-2-3-12)15-8-14(19)22-17(23-15)25-5-4-20-11-25/h4-5,8,11-13H,2-3,6-7,9-10H2,1H3,(H,21,27)