3-methyl-8-(4-methylpiperidin-1-ium-1-ylidene)-7-(2-pyrimidin-2-ylsulfanylethyl)-9H-purine-2,6-dione

Systemtic Name: 3-methyl-8-(4-methylpiperidin-1-ium-1-ylidene)-7-(2-pyrimidin-2-ylsulfanylethyl)-9H-purine-2,6-dione Openeye Name: 3-methyl-8-(4-methylpiperidin-1-ium-1-ylidene)-7-(2-pyrimidin-2-ylsulfanylethyl)-9H-purine-2,6-dione CAS Name: 3-methyl-8-(4-methyl-1-piperidin-1-iumylidene)-7-[2-(2-pyrimidinylthio)ethyl]-9H-purine-2,6-dione IUPAC Name: 3-methyl-8-(4-methylpiperidin-1-ium-1-ylidene)-7-(2-pyrimidin-2-ylsulfanylethyl)-9H-purine-2,6-dione Traditional Name: 3-methyl-8-(4-methylpiperidin-1-ium-1-ylidene)-7-[2-(2-pyrimidylthio)ethyl]-9H-purine-2,6-quinone Formula: C18H24N7O2S+ MolecularWeight: 402.49386

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[N+](=C2NC3=C(N2CCSC4=NC=CC=N4)C(=O)NC(=O)N3C)CC1

Isomeric SMILES

CC1CC[N+](=C2NC3=C(N2CCSC4=NC=CC=N4)C(=O)NC(=O)N3C)CC1

InChI

InChI=1S/C18H23N7O2S/c1-12-4-8-24(9-5-12)17-21-14-13(15(26)22-18(27)23(14)2)25(17)10-11-28-16-19-6-3-7-20-16/h3,6-7,12H,4-5,8-11H2,1-2H3,(H,22,26,27)/p+1