1-(2-ethylsulfanylethyl)-3-(3-methoxypropyl)-8-phenyl-7H-purine-2,6-dione

Systemtic Name: 1-(2-ethylsulfanylethyl)-3-(3-methoxypropyl)-8-phenyl-7H-purine-2,6-dione Openeye Name: 1-(2-ethylsulfanylethyl)-3-(3-methoxypropyl)-8-phenyl-7H-purine-2,6-dione CAS Name: 1-[2-(ethylthio)ethyl]-3-(3-methoxypropyl)-8-phenyl-7H-purine-2,6-dione IUPAC Name: 1-(2-ethylsulfanylethyl)-3-(3-methoxypropyl)-8-phenyl-7H-purine-2,6-dione Traditional Name: 1-[2-(ethylthio)ethyl]-3-(3-methoxypropyl)-8-phenyl-7H-purine-2,6-quinone Formula: C19H24N4O3S MolecularWeight: 388.48386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCCN1C(=O)C2=C(N=C(N2)C3=CC=CC=C3)N(C1=O)CCCOC

Isomeric SMILES

CCSCCN1C(=O)C2=C(N=C(N2)C3=CC=CC=C3)N(C1=O)CCCOC

InChI

InChI=1S/C19H24N4O3S/c1-3-27-13-11-23-18(24)15-17(22(19(23)25)10-7-12-26-2)21-16(20-15)14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3,(H,20,21)