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

Systemtic Name: 6-(3,4-dimethoxyphenyl)-4-thiomorpholin-4-yl-pteridin-2-amine Openeye Name: 6-(3,4-dimethoxyphenyl)-4-thiomorpholino-pteridin-2-amine CAS Name: 6-(3,4-dimethoxyphenyl)-4-thiomorpholin-4-yl-2-pteridinamine IUPAC Name: 6-(3,4-dimethoxyphenyl)-4-thiomorpholin-4-ylpteridin-2-amine Traditional Name: [6-(3,4-dimethoxyphenyl)-4-thiomorpholino-pteridin-2-yl]amine Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCSCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCSCC4)OC

InChI

InChI=1S/C18H20N6O2S/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)