7-[(E)-but-2-enyl]-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione

Systemtic Name: 7-[(E)-but-2-enyl]-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione Openeye Name: 7-[(E)-but-2-enyl]-8-isopentylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[(E)-but-2-enyl]-3-methyl-8-(3-methylbutylthio)purine-2,6-dione IUPAC Name: 7-[(E)-but-2-enyl]-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione Traditional Name: 7-[(E)-but-2-enyl]-8-(isoamylthio)-3-methyl-xanthine Formula: C15H22N4O2S MolecularWeight: 322.42578

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C2=C(N=C1SCCC(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

C/C=C/CN1C2=C(N=C1SCCC(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H22N4O2S/c1-5-6-8-19-11-12(18(4)14(21)17-13(11)20)16-15(19)22-9-7-10(2)3/h5-6,10H,7-9H2,1-4H3,(H,17,20,21)/b6-5+