1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]-8-propylsulfanyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]-8-propylsulfanyl-purine-2,6-dione Openeye Name: 7-[(E)-cinnamyl]-1,3-dimethyl-8-propylsulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]-8-(propylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]-8-propylsulfanylpurine-2,6-dione Traditional Name: 7-[(E)-cinnamyl]-1,3-dimethyl-8-(propylthio)xanthine Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1CC=CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCSC1=NC2=C(N1C/C=C/C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H22N4O2S/c1-4-13-26-18-20-16-15(17(24)22(3)19(25)21(16)2)23(18)12-8-11-14-9-6-5-7-10-14/h5-11H,4,12-13H2,1-3H3/b11-8+