8-ethylsulfanyl-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione

Systemtic Name: 8-ethylsulfanyl-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione Openeye Name: 8-ethylsulfanyl-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione CAS Name: 8-(ethylthio)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione IUPAC Name: 8-ethylsulfanyl-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione Traditional Name: 8-(ethylthio)-3-methyl-7-(3-phenoxypropyl)xanthine Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1CCCOC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCSC1=NC2=C(N1CCCOC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H20N4O3S/c1-3-25-17-18-14-13(15(22)19-16(23)20(14)2)21(17)10-7-11-24-12-8-5-4-6-9-12/h4-6,8-9H,3,7,10-11H2,1-2H3,(H,19,22,23)