3-ethyl-1-methyl-9-(3-methylphenyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione

Systemtic Name: 3-ethyl-1-methyl-9-(3-methylphenyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: 3-ethyl-1-methyl-9-(m-tolyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: 3-ethyl-1-methyl-9-(3-methylphenyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: 3-ethyl-1-methyl-9-(3-methylphenyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: 3-ethyl-1-methyl-9-(m-tolyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-quinone Formula: C18H22N5O2+ MolecularWeight: 340.39958

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC=CC(=C4)C)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC=CC(=C4)C)N(C1=O)C

InChI

InChI=1S/C18H21N5O2/c1-4-21-16(24)14-15(20(3)18(21)25)19-17-22(9-6-10-23(14)17)13-8-5-7-12(2)11-13/h5,7-8,11H,4,6,9-10H2,1-3H3/p+1