8-(2,5-dimethoxyphenyl)sulfanyl-9-(4-methylpent-3-enyl)purin-6-amine

Systemtic Name: 8-(2,5-dimethoxyphenyl)sulfanyl-9-(4-methylpent-3-enyl)purin-6-amine Openeye Name: 8-(2,5-dimethoxyphenyl)sulfanyl-9-(4-methylpent-3-enyl)purin-6-amine CAS Name: 8-[(2,5-dimethoxyphenyl)thio]-9-(4-methylpent-3-enyl)-6-purinamine IUPAC Name: 8-(2,5-dimethoxyphenyl)sulfanyl-9-(4-methylpent-3-enyl)purin-6-amine Traditional Name: [8-[(2,5-dimethoxyphenyl)thio]-9-(4-methylpent-3-enyl)purin-6-yl]amine Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O2S/c1-12(2)6-5-9-24-18-16(17(20)21-11-22-18)23-19(24)27-15-10-13(25-3)7-8-14(15)26-4/h6-8,10-11H,5,9H2,1-4H3,(H2,20,21,22)