9-(2-propan-2-yloxyethyl)-8-(3,4,5-trimethoxyphenyl)sulfanyl-purine-2,6-diamine

Systemtic Name: 9-(2-propan-2-yloxyethyl)-8-(3,4,5-trimethoxyphenyl)sulfanyl-purine-2,6-diamine Openeye Name: 9-(2-isopropoxyethyl)-8-(3,4,5-trimethoxyphenyl)sulfanyl-purine-2,6-diamine CAS Name: 9-(2-propan-2-yloxyethyl)-8-[(3,4,5-trimethoxyphenyl)thio]purine-2,6-diamine IUPAC Name: 9-(2-propan-2-yloxyethyl)-8-(3,4,5-trimethoxyphenyl)sulfanylpurine-2,6-diamine Traditional Name: [2-amino-9-(2-isopropoxyethyl)-8-[(3,4,5-trimethoxyphenyl)thio]purin-6-yl]amine Formula: C19H26N6O4S MolecularWeight: 434.51254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCN1C2=C(C(=NC(=N2)N)N)N=C1SC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(C)OCCN1C2=C(C(=NC(=N2)N)N)N=C1SC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C19H26N6O4S/c1-10(2)29-7-6-25-17-14(16(20)23-18(21)24-17)22-19(25)30-11-8-12(26-3)15(28-5)13(9-11)27-4/h8-10H,6-7H2,1-5H3,(H4,20,21,23,24)