8-[2-(2-chloroethyloxy)ethylsulfanyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 8-[2-(2-chloroethyloxy)ethylsulfanyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-[2-(2-chloroethoxy)ethylsulfanyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-[2-(2-chloroethoxy)ethylthio]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-[2-(2-chloroethoxy)ethylsulfanyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-[2-(2-chloroethoxy)ethylthio]-3-methyl-7-(3-phenylpropyl)xanthine Formula: C19H23ClN4O3S MolecularWeight: 422.92892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCOCCCl)CCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCOCCCl)CCCC3=CC=CC=C3

InChI

InChI=1S/C19H23ClN4O3S/c1-23-16-15(17(25)22-18(23)26)24(10-5-8-14-6-3-2-4-7-14)19(21-16)28-13-12-27-11-9-20/h2-4,6-7H,5,8-13H2,1H3,(H,22,25,26)