N6-[(3,4-dimethoxyphenyl)methyl]-7-ethyl-N2-(4-methyl-1,3-thiazol-2-yl)purine-2,6-diamine

Systemtic Name: N6-[(3,4-dimethoxyphenyl)methyl]-7-ethyl-N2-(4-methyl-1,3-thiazol-2-yl)purine-2,6-diamine Openeye Name: N6-[(3,4-dimethoxyphenyl)methyl]-7-ethyl-N2-(4-methylthiazol-2-yl)purine-2,6-diamine CAS Name: N6-[(3,4-dimethoxyphenyl)methyl]-7-ethyl-N2-(4-methyl-2-thiazolyl)purine-2,6-diamine IUPAC Name: 6-N-[(3,4-dimethoxyphenyl)methyl]-7-ethyl-2-N-(4-methyl-1,3-thiazol-2-yl)purine-2,6-diamine Traditional Name: [7-ethyl-2-[(4-methylthiazol-2-yl)amino]purin-6-yl]-veratryl-amine Formula: C20H23N7O2S MolecularWeight: 425.50732

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=CS3)C)NCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=CS3)C)NCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C20H23N7O2S/c1-5-27-11-22-18-16(27)17(24-19(25-18)26-20-23-12(2)10-30-20)21-9-13-6-7-14(28-3)15(8-13)29-4/h6-8,10-11H,5,9H2,1-4H3,(H2,21,23,24,25,26)