8-(2,5-dimethoxyphenyl)sulfanyl-9-[2-(4-nitrophenyl)ethyl]purin-6-amine

Systemtic Name: 8-(2,5-dimethoxyphenyl)sulfanyl-9-[2-(4-nitrophenyl)ethyl]purin-6-amine Openeye Name: 8-(2,5-dimethoxyphenyl)sulfanyl-9-[2-(4-nitrophenyl)ethyl]purin-6-amine CAS Name: 8-[(2,5-dimethoxyphenyl)thio]-9-[2-(4-nitrophenyl)ethyl]-6-purinamine IUPAC Name: 8-(2,5-dimethoxyphenyl)sulfanyl-9-[2-(4-nitrophenyl)ethyl]purin-6-amine Traditional Name: [8-[(2,5-dimethoxyphenyl)thio]-9-[2-(4-nitrophenyl)ethyl]purin-6-yl]amine Formula: C21H20N6O4S MolecularWeight: 452.4863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N2CCC4=CC=C(C=C4)[N+](=O)[O-])N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N2CCC4=CC=C(C=C4)[N+](=O)[O-])N=CN=C3N

InChI

InChI=1S/C21H20N6O4S/c1-30-15-7-8-16(31-2)17(11-15)32-21-25-18-19(22)23-12-24-20(18)26(21)10-9-13-3-5-14(6-4-13)27(28)29/h3-8,11-12H,9-10H2,1-2H3,(H2,22,23,24)