tert-butyl 2-[[5-[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]pyrimidin-2-yl]amino]ethanoate

Systemtic Name: tert-butyl 2-[[5-[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]pyrimidin-2-yl]amino]ethanoate Openeye Name: tert-butyl 2-[[5-[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]pyrimidin-2-yl]amino]acetate CAS Name: 2-[[5-[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]-2-pyrimidinyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]pyrimidin-2-yl]amino]acetate Traditional Name: 2-[[5-[2-(carbomethoxyamino)-3H-benzimidazol-5-yl]pyrimidin-2-yl]amino]acetic acid tert-butyl ester Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNC1=NC=C(C=N1)C2=CC3=C(C=C2)N=C(N3)NC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)CNC1=NC=C(C=N1)C2=CC3=C(C=C2)N=C(N3)NC(=O)OC

InChI

InChI=1S/C19H22N6O4/c1-19(2,3)29-15(26)10-22-16-20-8-12(9-21-16)11-5-6-13-14(7-11)24-17(23-13)25-18(27)28-4/h5-9H,10H2,1-4H3,(H,20,21,22)(H2,23,24,25,27)