7-[(2-chlorophenyl)methyl]-3-methyl-8-pyrimidin-2-ylsulfanyl-5H-purin-7-ium-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-pyrimidin-2-ylsulfanyl-5H-purin-7-ium-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-pyrimidin-2-ylsulfanyl-5H-purin-7-ium-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(2-pyrimidinylthio)-5H-purin-7-ium-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-pyrimidin-2-ylsulfanyl-5H-purin-7-ium-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-3-methyl-8-(2-pyrimidylthio)-5H-purin-7-ium-2,6-quinone Formula: C17H14ClN6O2S+ MolecularWeight: 401.85006

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=[N+](C2C(=O)NC1=O)CC3=CC=CC=C3Cl)SC4=NC=CC=N4

Isomeric SMILES

CN1C2=NC(=[N+](C2C(=O)NC1=O)CC3=CC=CC=C3Cl)SC4=NC=CC=N4

InChI

InChI=1S/C17H13ClN6O2S/c1-23-13-12(14(25)22-16(23)26)24(9-10-5-2-3-6-11(10)18)17(21-13)27-15-19-7-4-8-20-15/h2-8,12H,9H2,1H3/p+1