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

Systemtic Name: 1,3-dimethyl-8-[[5-(phenylazanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-7H-purine-2,6-dione Openeye Name: 8-[[4-allyl-5-(anilinomethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[[5-(anilinomethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[[5-(anilinomethyl)-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-(anilinomethyl)-1,2,4-triazol-3-yl]thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C19H20N8O2S MolecularWeight: 424.4795

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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)CNC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=NN=C(N3CC=C)CNC4=CC=CC=C4

InChI

InChI=1S/C19H20N8O2S/c1-4-10-27-13(11-20-12-8-6-5-7-9-12)23-24-18(27)30-17-21-14-15(22-17)25(2)19(29)26(3)16(14)28/h4-9,20H,1,10-11H2,2-3H3,(H,21,22)