6-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]pteridine-2,4-diamine

Systemtic Name: 6-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]pteridine-2,4-diamine Openeye Name: 6-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]pteridine-2,4-diamine CAS Name: 6-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]pteridine-2,4-diamine IUPAC Name: 6-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]pteridine-2,4-diamine Traditional Name: (2,4-diaminopteridin-6-yl)methyl-homoveratryl-amine Formula: C17H21N7O2 MolecularWeight: 355.39434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC2=CN=C3C(=N2)C(=NC(=N3)N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC2=CN=C3C(=N2)C(=NC(=N3)N)N)OC

InChI

InChI=1S/C17H21N7O2/c1-25-12-4-3-10(7-13(12)26-2)5-6-20-8-11-9-21-16-14(22-11)15(18)23-17(19)24-16/h3-4,7,9,20H,5-6,8H2,1-2H3,(H4,18,19,21,23,24)