6-(4-methoxyphenyl)-4-piperidin-1-yl-5,6,7,8-tetrahydropteridin-2-amine hydrate trihydrochloride

Systemtic Name: 6-(4-methoxyphenyl)-4-piperidin-1-yl-5,6,7,8-tetrahydropteridin-2-amine hydrate trihydrochloride Openeye Name: 6-(4-methoxyphenyl)-4-(1-piperidyl)-5,6,7,8-tetrahydropteridin-2-amine hydrate trihydrochloride CAS Name: 6-(4-methoxyphenyl)-4-(1-piperidinyl)-5,6,7,8-tetrahydropteridin-2-amine hydrate trihydrochloride IUPAC Name: 6-(4-methoxyphenyl)-4-piperidin-1-yl-5,6,7,8-tetrahydropteridin-2-amine hydrate trihydrochloride Traditional Name: [6-(4-methoxyphenyl)-4-piperidino-5,6,7,8-tetrahydropteridin-2-yl]amine hydrate trihydrochloride Formula: C18H29Cl3N6O2 MolecularWeight: 467.82086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CNC3=C(N2)C(=NC(=N3)N)N4CCCCC4.O.Cl.Cl.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2CNC3=C(N2)C(=NC(=N3)N)N4CCCCC4.O.Cl.Cl.Cl

InChI

InChI=1S/C18H24N6O.3ClH.H2O/c1-25-13-7-5-12(6-8-13)14-11-20-16-15(21-14)17(23-18(19)22-16)24-9-3-2-4-10-24;;;;/h5-8,14,21H,2-4,9-11H2,1H3,(H3,19,20,22,23);3*1H;1H2