N-[2-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-imidazol-4-yl]-4-formamido-1-methyl-imidazole-2-carboxamide

Systemtic Name: N-[2-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-imidazol-4-yl]-4-formamido-1-methyl-imidazole-2-carboxamide Openeye Name: N-[2-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-imidazol-4-yl]-4-formamido-1-methyl-imidazole-2-carboxamide CAS Name: N-[2-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-4-imidazolyl]-4-formamido-1-methyl-2-imidazolecarboxamide IUPAC Name: N-[2-[(3-amino-3-iminopropyl)carbamoyl]-1-methylimidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide Traditional Name: N-[2-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-imidazol-4-yl]-4-formamido-1-methyl-imidazole-2-carboxamide Formula: C14H19N9O3 MolecularWeight: 361.35916

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NCCC(=N)N)C)NC=O

Isomeric SMILES

CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NCCC(=N)N)C)NC=O

InChI

InChI=1S/C14H19N9O3/c1-22-5-9(18-7-24)19-12(22)14(26)21-10-6-23(2)11(20-10)13(25)17-4-3-8(15)16/h5-7H,3-4H2,1-2H3,(H3,15,16)(H,17,25)(H,18,24)(H,21,26)