9-(2-propan-2-yloxyethyl)-8-(3,4,5-trimethoxyphenyl)sulfanyl-purin-6-amine

Systemtic Name: 9-(2-propan-2-yloxyethyl)-8-(3,4,5-trimethoxyphenyl)sulfanyl-purin-6-amine Openeye Name: 9-(2-isopropoxyethyl)-8-(3,4,5-trimethoxyphenyl)sulfanyl-purin-6-amine CAS Name: 9-(2-propan-2-yloxyethyl)-8-[(3,4,5-trimethoxyphenyl)thio]-6-purinamine IUPAC Name: 9-(2-propan-2-yloxyethyl)-8-(3,4,5-trimethoxyphenyl)sulfanylpurin-6-amine Traditional Name: [9-(2-isopropoxyethyl)-8-[(3,4,5-trimethoxyphenyl)thio]purin-6-yl]amine Formula: C19H25N5O4S MolecularWeight: 419.4979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O4S/c1-11(2)28-7-6-24-18-15(17(20)21-10-22-18)23-19(24)29-12-8-13(25-3)16(27-5)14(9-12)26-4/h8-11H,6-7H2,1-5H3,(H2,20,21,22)