6-(3,4-dimethoxyphenyl)-N4,N4-diethyl-pteridine-2,4-diamine hydrate

Systemtic Name: 6-(3,4-dimethoxyphenyl)-N4,N4-diethyl-pteridine-2,4-diamine hydrate Openeye Name: 6-(3,4-dimethoxyphenyl)-N4,N4-diethyl-pteridine-2,4-diamine hydrate CAS Name: 6-(3,4-dimethoxyphenyl)-N4,N4-diethylpteridine-2,4-diamine hydrate IUPAC Name: 6-(3,4-dimethoxyphenyl)-4-N,4-N-diethylpteridine-2,4-diamine hydrate Traditional Name: [2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-diethyl-amine hydrate Formula: C18H24N6O3 MolecularWeight: 372.42156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O2.H2O/c1-5-24(6-2)17-15-16(22-18(19)23-17)20-10-12(21-15)11-7-8-13(25-3)14(9-11)26-4;/h7-10H,5-6H2,1-4H3,(H2,19,20,22,23);1H2