8-(2,5-dimethoxyphenyl)sulfanyl-9-(2-pyrrol-1-ylethyl)purin-6-amine

Systemtic Name: 8-(2,5-dimethoxyphenyl)sulfanyl-9-(2-pyrrol-1-ylethyl)purin-6-amine Openeye Name: 8-(2,5-dimethoxyphenyl)sulfanyl-9-(2-pyrrol-1-ylethyl)purin-6-amine CAS Name: 8-[(2,5-dimethoxyphenyl)thio]-9-[2-(1-pyrrolyl)ethyl]-6-purinamine IUPAC Name: 8-(2,5-dimethoxyphenyl)sulfanyl-9-(2-pyrrol-1-ylethyl)purin-6-amine Traditional Name: [8-[(2,5-dimethoxyphenyl)thio]-9-(2-pyrrol-1-ylethyl)purin-6-yl]amine Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N2CCN4C=CC=C4)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N2CCN4C=CC=C4)N=CN=C3N

InChI

InChI=1S/C19H20N6O2S/c1-26-13-5-6-14(27-2)15(11-13)28-19-23-16-17(20)21-12-22-18(16)25(19)10-9-24-7-3-4-8-24/h3-8,11-12H,9-10H2,1-2H3,(H2,20,21,22)