butan-2-yl 3-(2-azanyl-2-oxidanylidene-ethyl)-3-(6-imidazol-1-ylpyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate

Systemtic Name: butan-2-yl 3-(2-azanyl-2-oxidanylidene-ethyl)-3-(6-imidazol-1-ylpyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate Openeye Name: sec-butyl 3-(2-amino-2-oxo-ethyl)-3-(6-imidazol-1-ylpyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate CAS Name: 3-(2-amino-2-oxoethyl)-3-[6-(1-imidazolyl)-4-pyrimidinyl]-4-[(4-methoxyphenyl)methyl]-1-piperazinecarboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 3-(2-amino-2-oxoethyl)-3-(6-imidazol-1-ylpyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate Traditional Name: 3-(2-amino-2-keto-ethyl)-3-(6-imidazol-1-ylpyrimidin-4-yl)-4-p-anisyl-piperazine-1-carboxylic acid sec-butyl ester Formula: C26H33N7O4 MolecularWeight: 507.58472

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)N1CCN(C(C1)(CC(=O)N)C2=CC(=NC=N2)N3C=CN=C3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CCC(C)OC(=O)N1CCN(C(C1)(CC(=O)N)C2=CC(=NC=N2)N3C=CN=C3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H33N7O4/c1-4-19(2)37-25(35)31-11-12-33(15-20-5-7-21(36-3)8-6-20)26(16-31,14-23(27)34)22-13-24(30-17-29-22)32-10-9-28-18-32/h5-10,13,17-19H,4,11-12,14-16H2,1-3H3,(H2,27,34)