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

Systemtic Name: tert-butyl 2-[[5-[2-(ethylcarbamothioylamino)-3H-benzimidazol-5-yl]pyrimidin-2-yl]amino]ethanoate Openeye Name: tert-butyl 2-[[5-[2-(ethylcarbamothioylamino)-3H-benzimidazol-5-yl]pyrimidin-2-yl]amino]acetate CAS Name: 2-[[5-[2-[[ethylamino(sulfanylidene)methyl]amino]-3H-benzimidazol-5-yl]-2-pyrimidinyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-[2-(ethylcarbamothioylamino)-3H-benzimidazol-5-yl]pyrimidin-2-yl]amino]acetate Traditional Name: 2-[[5-[2-(ethylthiocarbamoylamino)-3H-benzimidazol-5-yl]pyrimidin-2-yl]amino]acetic acid tert-butyl ester Formula: C20H25N7O2S MolecularWeight: 427.5232

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=NC2=C(N1)C=C(C=C2)C3=CN=C(N=C3)NCC(=O)OC(C)(C)C

Isomeric SMILES

CCNC(=S)NC1=NC2=C(N1)C=C(C=C2)C3=CN=C(N=C3)NCC(=O)OC(C)(C)C

InChI

InChI=1S/C20H25N7O2S/c1-5-21-19(30)27-18-25-14-7-6-12(8-15(14)26-18)13-9-22-17(23-10-13)24-11-16(28)29-20(2,3)4/h6-10H,5,11H2,1-4H3,(H,22,23,24)(H3,21,25,26,27,30)