8-(3,4,5-trimethoxyphenyl)sulfanyl-7H-purine-2,6-diamine

Systemtic Name: 8-(3,4,5-trimethoxyphenyl)sulfanyl-7H-purine-2,6-diamine Openeye Name: 8-(3,4,5-trimethoxyphenyl)sulfanyl-7H-purine-2,6-diamine CAS Name: 8-[(3,4,5-trimethoxyphenyl)thio]-7H-purine-2,6-diamine IUPAC Name: 8-(3,4,5-trimethoxyphenyl)sulfanyl-7H-purine-2,6-diamine Traditional Name: [2-amino-8-[(3,4,5-trimethoxyphenyl)thio]-7H-purin-6-yl]amine Formula: C14H16N6O3S MolecularWeight: 348.38024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)SC2=NC3=C(N2)C(=NC(=N3)N)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)SC2=NC3=C(N2)C(=NC(=N3)N)N

InChI

InChI=1S/C14H16N6O3S/c1-21-7-4-6(5-8(22-2)10(7)23-3)24-14-17-9-11(15)18-13(16)19-12(9)20-14/h4-5H,1-3H3,(H5,15,16,17,18,19,20)