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

Systemtic Name: 8-[[5-(methoxymethyl)-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-(methoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[[5-(methoxymethyl)-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-(methoxymethyl)-1,2,4-triazol-3-yl]thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C14H17N7O3S MolecularWeight: 363.39488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=NN=C(N3CC=C)COC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=NN=C(N3CC=C)COC

InChI

InChI=1S/C14H17N7O3S/c1-5-6-21-8(7-24-4)17-18-13(21)25-12-15-9-10(16-12)19(2)14(23)20(3)11(9)22/h5H,1,6-7H2,2-4H3,(H,15,16)