7-decyl-3-methyl-8-propan-2-ylsulfanyl-purine-2,6-dione

Systemtic Name: 7-decyl-3-methyl-8-propan-2-ylsulfanyl-purine-2,6-dione Openeye Name: 7-decyl-8-isopropylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-decyl-3-methyl-8-(propan-2-ylthio)purine-2,6-dione IUPAC Name: 7-decyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione Traditional Name: 7-decyl-8-(isopropylthio)-3-methyl-xanthine Formula: C19H32N4O2S MolecularWeight: 380.54798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1SC(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1SC(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H32N4O2S/c1-5-6-7-8-9-10-11-12-13-23-15-16(20-19(23)26-14(2)3)22(4)18(25)21-17(15)24/h14H,5-13H2,1-4H3,(H,21,24,25)