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

Systemtic Name: 1,3-dimethyl-8-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-7H-purine-2,6-dione Openeye Name: 8-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-7H-purine-2,6-dione Traditional Name: 8-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C19H19N7O3S MolecularWeight: 425.46426

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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)COC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=NN=C(N3CC=C)COC4=CC=CC=C4

InChI

InChI=1S/C19H19N7O3S/c1-4-10-26-13(11-29-12-8-6-5-7-9-12)22-23-18(26)30-17-20-14-15(21-17)24(2)19(28)25(3)16(14)27/h4-9H,1,10-11H2,2-3H3,(H,20,21)