3-methyl-8-(3-methylbutylsulfanyl)-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(3-methylbutylsulfanyl)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-isopentylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-8-(3-methylbutylthio)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-methyl-8-(3-methylbutylsulfanyl)-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(isoamylthio)-3-methyl-xanthine Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)CCSC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H20N4O2S/c1-5-7-18-10-11(17(4)13(20)16-12(10)19)15-14(18)21-8-6-9(2)3/h5,9H,1,6-8H2,2-4H3,(H,16,19,20)