tert-butyl N-[(5-carbamimidoyl-1-methyl-pyrrol-3-yl)methyl]carbamate; ethanoic acid

Systemtic Name: tert-butyl N-[(5-carbamimidoyl-1-methyl-pyrrol-3-yl)methyl]carbamate; ethanoic acid Openeye Name: acetic acid; tert-butyl N-[(5-carbamimidoyl-1-methyl-pyrrol-3-yl)methyl]carbamate CAS Name: acetic acid; N-[(5-carbamimidoyl-1-methyl-3-pyrrolyl)methyl]carbamic acid tert-butyl ester IUPAC Name: acetic acid; tert-butyl N-[(5-carbamimidoyl-1-methylpyrrol-3-yl)methyl]carbamate Traditional Name: acetic acid; N-[(5-amidino-1-methyl-pyrrol-3-yl)methyl]carbamic acid tert-butyl ester Formula: C14H24N4O4 MolecularWeight: 312.36476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(C)(C)OC(=O)NCC1=CN(C(=C1)C(=N)N)C

Isomeric SMILES

CC(=O)O.CC(C)(C)OC(=O)NCC1=CN(C(=C1)C(=N)N)C

InChI

InChI=1S/C12H20N4O2.C2H4O2/c1-12(2,3)18-11(17)15-6-8-5-9(10(13)14)16(4)7-8;1-2(3)4/h5,7H,6H2,1-4H3,(H3,13,14)(H,15,17);1H3,(H,3,4)