tert-butyl 4-[5-[2-(ethoxycarbonylamino)-3H-benzimidazol-5-yl]pyrimidin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-[2-(ethoxycarbonylamino)-3H-benzimidazol-5-yl]pyrimidin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-[2-(ethoxycarbonylamino)-3H-benzimidazol-5-yl]pyrimidin-2-yl]piperazine-1-carboxylate CAS Name: 4-[5-[2-(ethoxycarbonylamino)-3H-benzimidazol-5-yl]-2-pyrimidinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[2-(ethoxycarbonylamino)-3H-benzimidazol-5-yl]pyrimidin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-[2-(carbethoxyamino)-3H-benzimidazol-5-yl]pyrimidin-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H29N7O4 MolecularWeight: 467.52086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NC2=C(N1)C=C(C=C2)C3=CN=C(N=C3)N4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)NC1=NC2=C(N1)C=C(C=C2)C3=CN=C(N=C3)N4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H29N7O4/c1-5-33-21(31)28-19-26-17-7-6-15(12-18(17)27-19)16-13-24-20(25-14-16)29-8-10-30(11-9-29)22(32)34-23(2,3)4/h6-7,12-14H,5,8-11H2,1-4H3,(H2,26,27,28,31)