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

Systemtic Name: 8-[(E)-but-2-enyl]sulfanyl-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[(E)-but-2-enyl]sulfanyl-3-methyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-[[(E)-but-2-enyl]thio]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[(E)-but-2-enyl]sulfanyl-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[[(E)-but-2-enyl]thio]-3-methyl-7-(3-methylbenzyl)xanthine Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCSC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C

Isomeric SMILES

C/C=C/CSC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H20N4O2S/c1-4-5-9-25-18-19-15-14(16(23)20-17(24)21(15)3)22(18)11-13-8-6-7-12(2)10-13/h4-8,10H,9,11H2,1-3H3,(H,20,23,24)/b5-4+