6-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-pteridin-2-amine trihydrate

Systemtic Name: 6-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-pteridin-2-amine trihydrate Openeye Name: 6-(3,4-dimethoxyphenyl)-4-morpholino-pteridin-2-amine trihydrate CAS Name: 6-(3,4-dimethoxyphenyl)-4-(4-morpholinyl)-2-pteridinamine trihydrate IUPAC Name: 6-(3,4-dimethoxyphenyl)-4-morpholin-4-ylpteridin-2-amine trihydrate Traditional Name: [6-(3,4-dimethoxyphenyl)-4-morpholino-pteridin-2-yl]amine trihydrate Formula: C18H26N6O6 MolecularWeight: 422.43564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCOCC4)OC.O.O.O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCOCC4)OC.O.O.O

InChI

InChI=1S/C18H20N6O3.3H2O/c1-25-13-4-3-11(9-14(13)26-2)12-10-20-16-15(21-12)17(23-18(19)22-16)24-5-7-27-8-6-24;;;/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,22,23);3*1H2