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

Systemtic Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(4-methylpyrimidin-2-yl)sulfanyl-5H-purin-7-ium-2,6-dione Openeye Name: 3-methyl-8-(4-methylpyrimidin-2-yl)sulfanyl-7-(m-tolylmethyl)-5H-purin-7-ium-2,6-dione CAS Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-[(4-methyl-2-pyrimidinyl)thio]-5H-purin-7-ium-2,6-dione IUPAC Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(4-methylpyrimidin-2-yl)sulfanyl-5H-purin-7-ium-2,6-dione Traditional Name: 3-methyl-7-(3-methylbenzyl)-8-[(4-methylpyrimidin-2-yl)thio]-5H-purin-7-ium-2,6-quinone Formula: C19H19N6O2S+ MolecularWeight: 395.45816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[N+]2=C(N=C3C2C(=O)NC(=O)N3C)SC4=NC=CC(=N4)C

Isomeric SMILES

CC1=CC(=CC=C1)C[N+]2=C(N=C3C2C(=O)NC(=O)N3C)SC4=NC=CC(=N4)C

InChI

InChI=1S/C19H18N6O2S/c1-11-5-4-6-13(9-11)10-25-14-15(24(3)18(27)23-16(14)26)22-19(25)28-17-20-8-7-12(2)21-17/h4-9,14H,10H2,1-3H3/p+1