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

Systemtic Name: 8-(2,5-dimethoxyphenyl)sulfanyl-9-[(4-nitrophenyl)methyl]purin-6-amine Openeye Name: 8-(2,5-dimethoxyphenyl)sulfanyl-9-[(4-nitrophenyl)methyl]purin-6-amine CAS Name: 8-[(2,5-dimethoxyphenyl)thio]-9-[(4-nitrophenyl)methyl]-6-purinamine IUPAC Name: 8-(2,5-dimethoxyphenyl)sulfanyl-9-[(4-nitrophenyl)methyl]purin-6-amine Traditional Name: [8-[(2,5-dimethoxyphenyl)thio]-9-(4-nitrobenzyl)purin-6-yl]amine Formula: C20H18N6O4S MolecularWeight: 438.45972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N2CC4=CC=C(C=C4)[N+](=O)[O-])N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N2CC4=CC=C(C=C4)[N+](=O)[O-])N=CN=C3N

InChI

InChI=1S/C20H18N6O4S/c1-29-14-7-8-15(30-2)16(9-14)31-20-24-17-18(21)22-11-23-19(17)25(20)10-12-3-5-13(6-4-12)26(27)28/h3-9,11H,10H2,1-2H3,(H2,21,22,23)