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

Systemtic Name: 8-(3-bromanyl-2,5-dimethoxy-phenyl)sulfanyl-9-(4-methylpent-3-enyl)purin-6-amine Openeye Name: 8-(3-bromo-2,5-dimethoxy-phenyl)sulfanyl-9-(4-methylpent-3-enyl)purin-6-amine CAS Name: 8-[(3-bromo-2,5-dimethoxyphenyl)thio]-9-(4-methylpent-3-enyl)-6-purinamine IUPAC Name: 8-(3-bromo-2,5-dimethoxyphenyl)sulfanyl-9-(4-methylpent-3-enyl)purin-6-amine Traditional Name: [8-[(3-bromo-2,5-dimethoxy-phenyl)thio]-9-(4-methylpent-3-enyl)purin-6-yl]amine Formula: C19H22BrN5O2S MolecularWeight: 464.37928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN5O2S/c1-11(2)6-5-7-25-18-15(17(21)22-10-23-18)24-19(25)28-14-9-12(26-3)8-13(20)16(14)27-4/h6,8-10H,5,7H2,1-4H3,(H2,21,22,23)