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

Systemtic Name: 8-[[5-(benzotriazol-1-yl)-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-(benzotriazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[[5-(1-benzotriazolyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[[5-(benzotriazol-1-yl)-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-(benzotriazol-1-yl)-1,2,4-triazol-3-yl]thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C18H16N10O2S MolecularWeight: 436.45044

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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)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=NN=C(N3CC=C)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C18H16N10O2S/c1-4-9-27-16(28-11-8-6-5-7-10(11)21-24-28)22-23-17(27)31-15-19-12-13(20-15)25(2)18(30)26(3)14(12)29/h4-8H,1,9H2,2-3H3,(H,19,20)