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2-(3-azanylpropylamino)ethyl carbamimidothioate trihydrate

2-(3-azanylpropylamino)ethyl carbamimidothioate trihydrate

Systemtic Name:2-(3-azanylpropylamino)ethyl carbamimidothioate trihydrate
Openeye Name:2-[2-(3-aminopropylamino)ethyl]isothiourea trihydrate
CAS Name:carbamimidothioic acid 2-(3-aminopropylamino)ethyl ester trihydrate
IUPAC Name:2-(3-aminopropylamino)ethyl carbamimidothioate trihydrate
Traditional Name:2-[2-(3-aminopropylamino)ethyl]isothiourea trihydrate
Formula: C6H22N4O3S
MolecularWeight: 230.32888
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Descriptors Computed from Structure

Canonical SMILES:

C(CN)CNCCSC(=N)N.O.O.O


Isomeric SMILES

C(CN)CNCCSC(=N)N.O.O.O


InChI

InChI=1S/C6H16N4S.3H2O/c7-2-1-3-10-4-5-11-6(8)9;;;/h10H,1-5,7H2,(H3,8,9);3*1H2


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