6-phenyl-N4,N4-dipropyl-pteridine-2,4-diamine trihydrate

Systemtic Name: 6-phenyl-N4,N4-dipropyl-pteridine-2,4-diamine trihydrate Openeye Name: 6-phenyl-N4,N4-dipropyl-pteridine-2,4-diamine trihydrate CAS Name: 6-phenyl-N4,N4-dipropylpteridine-2,4-diamine trihydrate IUPAC Name: 6-phenyl-4-N,4-N-dipropylpteridine-2,4-diamine trihydrate Traditional Name: (2-amino-6-phenyl-pteridin-4-yl)-dipropyl-amine trihydrate Formula: C18H28N6O3 MolecularWeight: 376.45332

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=NC(=NC2=NC=C(N=C21)C3=CC=CC=C3)N.O.O.O

Isomeric SMILES

CCCN(CCC)C1=NC(=NC2=NC=C(N=C21)C3=CC=CC=C3)N.O.O.O

InChI

InChI=1S/C18H22N6.3H2O/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;;;/h5-9,12H,3-4,10-11H2,1-2H3,(H2,19,20,22,23);3*1H2