8-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C14H17N7O2S MolecularWeight: 347.39548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC=C)SC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCC1=NN=C(N1CC=C)SC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C14H17N7O2S/c1-5-7-21-8(6-2)17-18-13(21)24-12-15-9-10(16-12)19(3)14(23)20(4)11(9)22/h5H,1,6-7H2,2-4H3,(H,15,16)