1-[5-(azepan-1-ylmethyl)pyrimidin-2-yl]ethane-1,2-diamine trihydrochloride

Systemtic Name: 1-[5-(azepan-1-ylmethyl)pyrimidin-2-yl]ethane-1,2-diamine trihydrochloride Openeye Name: 1-[5-(azepan-1-ylmethyl)pyrimidin-2-yl]ethane-1,2-diamine trihydrochloride CAS Name: 1-[5-(1-azepanylmethyl)-2-pyrimidinyl]ethane-1,2-diamine trihydrochloride IUPAC Name: 1-[5-(azepan-1-ylmethyl)pyrimidin-2-yl]ethane-1,2-diamine trihydrochloride Traditional Name: [2-amino-1-[5-(azepan-1-ylmethyl)pyrimidin-2-yl]ethyl]amine trihydrochloride Formula: C13H26Cl3N5 MolecularWeight: 358.73804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CN=C(N=C2)C(CN)N.Cl.Cl.Cl

Isomeric SMILES

C1CCCN(CC1)CC2=CN=C(N=C2)C(CN)N.Cl.Cl.Cl

InChI

InChI=1S/C13H23N5.3ClH/c14-7-12(15)13-16-8-11(9-17-13)10-18-5-3-1-2-4-6-18;;;/h8-9,12H,1-7,10,14-15H2;3*1H