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

Systemtic Name: 6-(3,4-dimethoxyphenyl)-N4-phenethyl-pteridine-2,4-diamine Openeye Name: 6-(3,4-dimethoxyphenyl)-N4-phenethyl-pteridine-2,4-diamine CAS Name: 6-(3,4-dimethoxyphenyl)-N4-phenethylpteridine-2,4-diamine IUPAC Name: 6-(3,4-dimethoxyphenyl)-4-N-phenethylpteridine-2,4-diamine Traditional Name: [2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-phenethyl-amine Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)NCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)NCCC4=CC=CC=C4)OC

InChI

InChI=1S/C22H22N6O2/c1-29-17-9-8-15(12-18(17)30-2)16-13-25-21-19(26-16)20(27-22(23)28-21)24-11-10-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H3,23,24,25,27,28)