7-[3-(4-chlorophenyl)sulfanylpropyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 7-[3-(4-chlorophenyl)sulfanylpropyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-[3-(4-chlorophenyl)sulfanylpropyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 7-[3-[(4-chlorophenyl)thio]propyl]-3-methyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 7-[3-(4-chlorophenyl)sulfanylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-[3-[(4-chlorophenyl)thio]propyl]-3-methyl-8-pyrrolidino-xanthine Formula: C19H22ClN5O2S MolecularWeight: 419.92828

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CCCSC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CCCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H22ClN5O2S/c1-23-16-15(17(26)22-19(23)27)25(18(21-16)24-9-2-3-10-24)11-4-12-28-14-7-5-13(20)6-8-14/h5-8H,2-4,9-12H2,1H3,(H,22,26,27)