7-[(2-chlorophenyl)methyl]-3-methyl-8-(4-methylpyrimidin-2-yl)sulfanyl-5H-purin-7-ium-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(4-methylpyrimidin-2-yl)sulfanyl-5H-purin-7-ium-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(4-methylpyrimidin-2-yl)sulfanyl-5H-purin-7-ium-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[(4-methyl-2-pyrimidinyl)thio]-5H-purin-7-ium-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(4-methylpyrimidin-2-yl)sulfanyl-5H-purin-7-ium-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-3-methyl-8-[(4-methylpyrimidin-2-yl)thio]-5H-purin-7-ium-2,6-quinone Formula: C18H16ClN6O2S+ MolecularWeight: 415.87664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SC2=[N+](C3C(=O)NC(=O)N(C3=N2)C)CC4=CC=CC=C4Cl

Isomeric SMILES

CC1=NC(=NC=C1)SC2=[N+](C3C(=O)NC(=O)N(C3=N2)C)CC4=CC=CC=C4Cl

InChI

InChI=1S/C18H15ClN6O2S/c1-10-7-8-20-16(21-10)28-18-22-14-13(15(26)23-17(27)24(14)2)25(18)9-11-5-3-4-6-12(11)19/h3-8,13H,9H2,1-2H3/p+1