ethyl 1-(aminocarbonylamino)-2-azanylidene-3-(1H-benzimidazol-2-yl)-5-methyl-3H-pyrrole-4-carboxylate

Systemtic Name: ethyl 1-(aminocarbonylamino)-2-azanylidene-3-(1H-benzimidazol-2-yl)-5-methyl-3H-pyrrole-4-carboxylate Openeye Name: ethyl 3-(1H-benzimidazol-2-yl)-2-imino-5-methyl-1-ureido-3H-pyrrole-4-carboxylate CAS Name: 3-(1H-benzimidazol-2-yl)-1-(carbamoylamino)-2-imino-5-methyl-3H-pyrrole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1H-benzimidazol-2-yl)-1-(carbamoylamino)-2-imino-5-methyl-3H-pyrrole-4-carboxylate Traditional Name: 4-(1H-benzimidazol-2-yl)-5-imino-2-methyl-1-ureido-2-pyrroline-3-carboxylic acid ethyl ester Formula: C16H18N6O3 MolecularWeight: 342.35252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=N)C1C2=NC3=CC=CC=C3N2)NC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=N)C1C2=NC3=CC=CC=C3N2)NC(=O)N)C

InChI

InChI=1S/C16H18N6O3/c1-3-25-15(23)11-8(2)22(21-16(18)24)13(17)12(11)14-19-9-6-4-5-7-10(9)20-14/h4-7,12,17H,3H2,1-2H3,(H,19,20)(H3,18,21,24)