7-[(2-chlorophenyl)methyl]-3-methyl-8-pentylsulfanyl-purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-pentylsulfanyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-pentylsulfanyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(pentylthio)purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-pentylsulfanylpurine-2,6-dione Traditional Name: 8-(amylthio)-7-(2-chlorobenzyl)-3-methyl-xanthine Formula: C18H21ClN4O2S MolecularWeight: 392.90294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H21ClN4O2S/c1-3-4-7-10-26-18-20-15-14(16(24)21-17(25)22(15)2)23(18)11-12-8-5-6-9-13(12)19/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,21,24,25)