9-(2-phenoxyethyl)-8-(2-phenoxyethylsulfanyl)purin-6-amine

Systemtic Name: 9-(2-phenoxyethyl)-8-(2-phenoxyethylsulfanyl)purin-6-amine Openeye Name: 9-(2-phenoxyethyl)-8-(2-phenoxyethylsulfanyl)purin-6-amine CAS Name: 9-(2-phenoxyethyl)-8-(2-phenoxyethylthio)-6-purinamine IUPAC Name: 9-(2-phenoxyethyl)-8-(2-phenoxyethylsulfanyl)purin-6-amine Traditional Name: [9-(2-phenoxyethyl)-8-(2-phenoxyethylthio)purin-6-yl]amine Formula: C21H21N5O2S MolecularWeight: 407.48874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SCCOC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SCCOC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2S/c22-19-18-20(24-15-23-19)26(11-12-27-16-7-3-1-4-8-16)21(25-18)29-14-13-28-17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H2,22,23,24)