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

Systemtic Name: 7-[(E)-but-2-enyl]-8-[(2R)-but-3-en-2-yl]sulfanyl-3-methyl-purine-2,6-dione Openeye Name: 7-[(E)-but-2-enyl]-3-methyl-8-[(1R)-1-methylallyl]sulfanyl-purine-2,6-dione CAS Name: 7-[(E)-but-2-enyl]-8-[[(2R)-but-3-en-2-yl]thio]-3-methylpurine-2,6-dione IUPAC Name: 7-[(E)-but-2-enyl]-8-[(2R)-but-3-en-2-yl]sulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-[(E)-but-2-enyl]-3-methyl-8-[[(1R)-1-methylallyl]thio]xanthine Formula: C14H18N4O2S MolecularWeight: 306.38332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O2S/c1-5-7-8-18-10-11(15-14(18)21-9(3)6-2)17(4)13(20)16-12(10)19/h5-7,9H,2,8H2,1,3-4H3,(H,16,19,20)/b7-5+/t9-/m1/s1