2-[6-[bis(azanyl)methylideneamino]hexyl]guanidine; 1-isocyanato-4-methyl-benzene

Systemtic Name: 2-[6-[bis(azanyl)methylideneamino]hexyl]guanidine; 1-isocyanato-4-methyl-benzene Openeye Name: 2-(6-guanidinohexyl)guanidine; 1-isocyanato-4-methyl-benzene CAS Name: 2-[6-(diaminomethylideneamino)hexyl]guanidine; 1-isocyanato-4-methylbenzene IUPAC Name: 2-[6-(diaminomethylideneamino)hexyl]guanidine; 1-isocyanato-4-methylbenzene Traditional Name: 2-(6-guanidinohexyl)guanidine; 1-isocyanato-4-methyl-benzene Formula: C16H27N7O MolecularWeight: 333.43188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C=O.C(CCCN=C(N)N)CCN=C(N)N

Isomeric SMILES

CC1=CC=C(C=C1)N=C=O.C(CCCN=C(N)N)CCN=C(N)N

InChI

InChI=1S/C8H20N6.C8H7NO/c9-7(10)13-5-3-1-2-4-6-14-8(11)12;1-7-2-4-8(5-3-7)9-6-10/h1-6H2,(H4,9,10,13)(H4,11,12,14);2-5H,1H3