8-(2,5-dimethoxyphenyl)sulfanyl-9-[3-(dimethylamino)propyl]purin-6-amine

Systemtic Name: 8-(2,5-dimethoxyphenyl)sulfanyl-9-[3-(dimethylamino)propyl]purin-6-amine Openeye Name: 8-(2,5-dimethoxyphenyl)sulfanyl-9-[3-(dimethylamino)propyl]purin-6-amine CAS Name: 8-[(2,5-dimethoxyphenyl)thio]-9-[3-(dimethylamino)propyl]-6-purinamine IUPAC Name: 8-(2,5-dimethoxyphenyl)sulfanyl-9-[3-(dimethylamino)propyl]purin-6-amine Traditional Name: 3-[6-amino-8-[(2,5-dimethoxyphenyl)thio]purin-9-yl]propyl-dimethyl-amine Formula: C18H24N6O2S MolecularWeight: 388.48716

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CN(C)CCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C18H24N6O2S/c1-23(2)8-5-9-24-17-15(16(19)20-11-21-17)22-18(24)27-14-10-12(25-3)6-7-13(14)26-4/h6-7,10-11H,5,8-9H2,1-4H3,(H2,19,20,21)