8-(3,5-dimethylpiperidin-1-ium-1-ylidene)-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)-9H-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpiperidin-1-ium-1-ylidene)-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)-9H-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpiperidin-1-ium-1-ylidene)-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)-9H-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-piperidin-1-iumylidene)-3-methyl-7-[2-(2-pyrimidinylthio)ethyl]-9H-purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpiperidin-1-ium-1-ylidene)-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)-9H-purine-2,6-dione Traditional Name: 8-(3,5-dimethylpiperidin-1-ium-1-ylidene)-3-methyl-7-[2-(2-pyrimidylthio)ethyl]-9H-purine-2,6-quinone Formula: C19H26N7O2S+ MolecularWeight: 416.52044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[N+](=C2NC3=C(N2CCSC4=NC=CC=N4)C(=O)NC(=O)N3C)C1)C

Isomeric SMILES

CC1CC(C[N+](=C2NC3=C(N2CCSC4=NC=CC=N4)C(=O)NC(=O)N3C)C1)C

InChI

InChI=1S/C19H25N7O2S/c1-12-9-13(2)11-25(10-12)18-22-15-14(16(27)23-19(28)24(15)3)26(18)7-8-29-17-20-5-4-6-21-17/h4-6,12-13H,7-11H2,1-3H3,(H,23,27,28)/p+1