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

Systemtic Name: 9-(2-propan-2-yloxyethyl)-8-(3,4,5-trimethoxyphenyl)sulfinyl-purin-6-amine Openeye Name: 9-(2-isopropoxyethyl)-8-(3,4,5-trimethoxyphenyl)sulfinyl-purin-6-amine CAS Name: 9-(2-propan-2-yloxyethyl)-8-(3,4,5-trimethoxyphenyl)sulfinyl-6-purinamine IUPAC Name: 9-(2-propan-2-yloxyethyl)-8-(3,4,5-trimethoxyphenyl)sulfinylpurin-6-amine Traditional Name: [9-(2-isopropoxyethyl)-8-(3,4,5-trimethoxyphenyl)sulfinyl-purin-6-yl]amine Formula: C19H25N5O5S MolecularWeight: 435.4973

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCN1C2=C(C(=NC=N2)N)N=C1S(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(C)OCCN1C2=C(C(=NC=N2)N)N=C1S(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C19H25N5O5S/c1-11(2)29-7-6-24-18-15(17(20)21-10-22-18)23-19(24)30(25)12-8-13(26-3)16(28-5)14(9-12)27-4/h8-11H,6-7H2,1-5H3,(H2,20,21,22)