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

Systemtic Name: 1,3-dimethyl-8-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-7H-purine-2,6-dione Openeye Name: 8-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-7H-purine-2,6-dione Traditional Name: 8-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C13H15N7O2S MolecularWeight: 333.3689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=NN=C(N1CC=C)SC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C13H15N7O2S/c1-5-6-20-7(2)16-17-12(20)23-11-14-8-9(15-11)18(3)13(22)19(4)10(8)21/h5H,1,6H2,2-4H3,(H,14,15)