7-[(E)-but-2-enyl]-3-methyl-8-[(2R)-3-oxidanylidenebutan-2-yl]sulfanyl-purine-2,6-dione

Systemtic Name: 7-[(E)-but-2-enyl]-3-methyl-8-[(2R)-3-oxidanylidenebutan-2-yl]sulfanyl-purine-2,6-dione Openeye Name: 7-[(E)-but-2-enyl]-3-methyl-8-[(1R)-1-methyl-2-oxo-propyl]sulfanyl-purine-2,6-dione CAS Name: 7-[(E)-but-2-enyl]-3-methyl-8-[[(2R)-3-oxobutan-2-yl]thio]purine-2,6-dione IUPAC Name: 7-[(E)-but-2-enyl]-3-methyl-8-[(2R)-3-oxobutan-2-yl]sulfanylpurine-2,6-dione Traditional Name: 7-[(E)-but-2-enyl]-8-[[(1R)-2-keto-1-methyl-propyl]thio]-3-methyl-xanthine Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C2=C(N=C1SC(C)C(=O)C)N(C(=O)NC2=O)C

Isomeric SMILES

C/C=C/CN1C2=C(N=C1S[C@H](C)C(=O)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H18N4O3S/c1-5-6-7-18-10-11(17(4)13(21)16-12(10)20)15-14(18)22-9(3)8(2)19/h5-6,9H,7H2,1-4H3,(H,16,20,21)/b6-5+/t9-/m1/s1