3-methyl-8-(3-methylpiperidin-1-ium-1-ylidene)-7-(3-pyrimidin-2-ylsulfanylpropyl)-5H-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[N+](=C2N=C3C(N2CCCSC4=NC=CC=N4)C(=O)NC(=O)N3C)C1

Isomeric SMILES

CC1CCC[N+](=C2N=C3C(N2CCCSC4=NC=CC=N4)C(=O)NC(=O)N3C)C1

InChI

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