butyl 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]piperazine-1-carboxylate

Systemtic Name: butyl 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]piperazine-1-carboxylate Openeye Name: butyl 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]piperazine-1-carboxylate CAS Name: 4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-2-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]-1-piperazinecarboxylic acid butyl ester IUPAC Name: butyl 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]piperazine-1-carboxylate Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-2-(veratrylcarbamoyl)piperazine-1-carboxylic acid butyl ester Formula: C26H32ClN7O5 MolecularWeight: 558.02918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CCN(CC1C(=O)NCC2=CC(=C(C=C2)OC)OC)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

CCCCOC(=O)N1CCN(CC1C(=O)NCC2=CC(=C(C=C2)OC)OC)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C26H32ClN7O5/c1-4-5-12-39-26(36)34-11-10-32(23-14-22(27)30-25(31-23)33-9-8-28-17-33)16-19(34)24(35)29-15-18-6-7-20(37-2)21(13-18)38-3/h6-9,13-14,17,19H,4-5,10-12,15-16H2,1-3H3,(H,29,35)