6-phenyl-N4,N4-dipropyl-5,6,7,8-tetrahydropteridine-2,4-diamine hydrate trihydrochloride

Systemtic Name: 6-phenyl-N4,N4-dipropyl-5,6,7,8-tetrahydropteridine-2,4-diamine hydrate trihydrochloride Openeye Name: 6-phenyl-N4,N4-dipropyl-5,6,7,8-tetrahydropteridine-2,4-diamine hydrate trihydrochloride CAS Name: 6-phenyl-N4,N4-dipropyl-5,6,7,8-tetrahydropteridine-2,4-diamine hydrate trihydrochloride IUPAC Name: 6-phenyl-4-N,4-N-dipropyl-5,6,7,8-tetrahydropteridine-2,4-diamine hydrate trihydrochloride Traditional Name: (2-amino-6-phenyl-5,6,7,8-tetrahydropteridin-4-yl)-dipropyl-amine hydrate trihydrochloride Formula: C18H31Cl3N6O MolecularWeight: 453.83734

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=NC(=NC2=C1NC(CN2)C3=CC=CC=C3)N.O.Cl.Cl.Cl

Isomeric SMILES

CCCN(CCC)C1=NC(=NC2=C1NC(CN2)C3=CC=CC=C3)N.O.Cl.Cl.Cl

InChI

InChI=1S/C18H26N6.3ClH.H2O/c1-3-10-24(11-4-2)17-15-16(22-18(19)23-17)20-12-14(21-15)13-8-6-5-7-9-13;;;;/h5-9,14,21H,3-4,10-12H2,1-2H3,(H3,19,20,22,23);3*1H;1H2