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

Systemtic Name: 8-(2-chloranyl-3,4,5-trimethoxy-phenyl)sulfanyl-9-(2-propan-2-yloxyethyl)purine-2,6-diamine Openeye Name: 8-(2-chloro-3,4,5-trimethoxy-phenyl)sulfanyl-9-(2-isopropoxyethyl)purine-2,6-diamine CAS Name: 8-[(2-chloro-3,4,5-trimethoxyphenyl)thio]-9-(2-propan-2-yloxyethyl)purine-2,6-diamine IUPAC Name: 8-(2-chloro-3,4,5-trimethoxyphenyl)sulfanyl-9-(2-propan-2-yloxyethyl)purine-2,6-diamine Traditional Name: [2-amino-8-[(2-chloro-3,4,5-trimethoxy-phenyl)thio]-9-(2-isopropoxyethyl)purin-6-yl]amine Formula: C19H25ClN6O4S MolecularWeight: 468.9576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN6O4S/c1-9(2)30-7-6-26-17-13(16(21)24-18(22)25-17)23-19(26)31-11-8-10(27-3)14(28-4)15(29-5)12(11)20/h8-9H,6-7H2,1-5H3,(H4,21,22,24,25)