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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(3-oxidanylpropylsulfanyl)purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-(3-hydroxypropylsulfanyl)-3-methyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-(3-hydroxypropylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-(3-hydroxypropylsulfanyl)-3-methylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-(3-hydroxypropylthio)-3-methyl-xanthine Formula: C16H17ClN4O3S MolecularWeight: 380.84918

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCO)CC3=CC=CC=C3Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCO)CC3=CC=CC=C3Cl

InChI

InChI=1S/C16H17ClN4O3S/c1-20-13-12(14(23)19-15(20)24)21(16(18-13)25-8-4-7-22)9-10-5-2-3-6-11(10)17/h2-3,5-6,22H,4,7-9H2,1H3,(H,19,23,24)