N4,N4-diethyl-6-(4-methoxyphenyl)pteridine-2,4-diamine hydrate

Systemtic Name: N4,N4-diethyl-6-(4-methoxyphenyl)pteridine-2,4-diamine hydrate Openeye Name: N4,N4-diethyl-6-(4-methoxyphenyl)pteridine-2,4-diamine hydrate CAS Name: N4,N4-diethyl-6-(4-methoxyphenyl)pteridine-2,4-diamine hydrate IUPAC Name: 4-N,4-N-diethyl-6-(4-methoxyphenyl)pteridine-2,4-diamine hydrate Traditional Name: [2-amino-6-(4-methoxyphenyl)pteridin-4-yl]-diethyl-amine hydrate Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC2=NC=C(N=C21)C3=CC=C(C=C3)OC)N.O

Isomeric SMILES

CCN(CC)C1=NC(=NC2=NC=C(N=C21)C3=CC=C(C=C3)OC)N.O

InChI

InChI=1S/C17H20N6O.H2O/c1-4-23(5-2)16-14-15(21-17(18)22-16)19-10-13(20-14)11-6-8-12(24-3)9-7-11;/h6-10H,4-5H2,1-3H3,(H2,18,19,21,22);1H2