6-phenyl-4-piperidin-1-yl-5,6,7,8-tetrahydropteridin-2-amine dihydrate dihydrochloride

Systemtic Name: 6-phenyl-4-piperidin-1-yl-5,6,7,8-tetrahydropteridin-2-amine dihydrate dihydrochloride Openeye Name: 6-phenyl-4-(1-piperidyl)-5,6,7,8-tetrahydropteridin-2-amine dihydrate dihydrochloride CAS Name: 6-phenyl-4-(1-piperidinyl)-5,6,7,8-tetrahydropteridin-2-amine dihydrate dihydrochloride IUPAC Name: 6-phenyl-4-piperidin-1-yl-5,6,7,8-tetrahydropteridin-2-amine dihydrate dihydrochloride Traditional Name: (6-phenyl-4-piperidino-5,6,7,8-tetrahydropteridin-2-yl)amine dihydrate dihydrochloride Formula: C17H28Cl2N6O2 MolecularWeight: 419.34922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC3=C2NC(CN3)C4=CC=CC=C4)N.O.O.Cl.Cl

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC3=C2NC(CN3)C4=CC=CC=C4)N.O.O.Cl.Cl

InChI

InChI=1S/C17H22N6.2ClH.2H2O/c18-17-21-15-14(16(22-17)23-9-5-2-6-10-23)20-13(11-19-15)12-7-3-1-4-8-12;;;;/h1,3-4,7-8,13,20H,2,5-6,9-11H2,(H3,18,19,21,22);2*1H;2*1H2