methyl N-[1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: methyl N-[1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: methyl N-(1-carbamoyl-4-guanidino-butyl)carbamate CAS Name: N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamate Traditional Name: N-(1-carbamoyl-4-guanidino-butyl)carbamic acid methyl ester Formula: C8H17N5O3 MolecularWeight: 231.25228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(CCCN=C(N)N)C(=O)N

Isomeric SMILES

COC(=O)NC(CCCN=C(N)N)C(=O)N

InChI

InChI=1S/C8H17N5O3/c1-16-8(15)13-5(6(9)14)3-2-4-12-7(10)11/h5H,2-4H2,1H3,(H2,9,14)(H,13,15)(H4,10,11,12)