8-(2,5-dimethoxyphenyl)sulfanyl-3-(2-naphthalen-1-ylethyl)purin-6-amine

Systemtic Name: 8-(2,5-dimethoxyphenyl)sulfanyl-3-(2-naphthalen-1-ylethyl)purin-6-amine Openeye Name: 8-(2,5-dimethoxyphenyl)sulfanyl-3-[2-(1-naphthyl)ethyl]purin-6-amine CAS Name: 8-[(2,5-dimethoxyphenyl)thio]-3-[2-(1-naphthalenyl)ethyl]-6-purinamine IUPAC Name: 8-(2,5-dimethoxyphenyl)sulfanyl-3-(2-naphthalen-1-ylethyl)purin-6-amine Traditional Name: [8-[(2,5-dimethoxyphenyl)thio]-3-[2-(1-naphthyl)ethyl]purin-6-yl]amine Formula: C25H23N5O2S MolecularWeight: 457.54742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N=CN(C3=N2)CCC4=CC=CC5=CC=CC=C54)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N=CN(C3=N2)CCC4=CC=CC5=CC=CC=C54)N

InChI

InChI=1S/C25H23N5O2S/c1-31-18-10-11-20(32-2)21(14-18)33-25-28-22-23(26)27-15-30(24(22)29-25)13-12-17-8-5-7-16-6-3-4-9-19(16)17/h3-11,14-15H,12-13,26H2,1-2H3