8-[(E)-but-2-enyl]sulfanyl-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-[(E)-but-2-enyl]sulfanyl-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[(E)-but-2-enyl]sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[(E)-but-2-enyl]thio]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[(E)-but-2-enyl]sulfanyl-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[[(E)-but-2-enyl]thio]-1,3-dimethyl-xanthine Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/CSC1=NC2=C(N1CC=C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H18N4O2S/c1-5-7-9-21-13-15-11-10(18(13)8-6-2)12(19)17(4)14(20)16(11)3/h5-7H,2,8-9H2,1,3-4H3/b7-5+