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

Systemtic Name: 1-methyl-3-[(4-methylphenyl)methyl]-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: 1-methyl-9-phenyl-3-(p-tolylmethyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: 1-methyl-3-[(4-methylphenyl)methyl]-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: 1-methyl-3-[(4-methylphenyl)methyl]-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: 1-methyl-3-(4-methylbenzyl)-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-quinone Formula: C23H24N5O2+ MolecularWeight: 402.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(NC4=[N+]3CCCN4C5=CC=CC=C5)N(C2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(NC4=[N+]3CCCN4C5=CC=CC=C5)N(C2=O)C

InChI

InChI=1S/C23H23N5O2/c1-16-9-11-17(12-10-16)15-28-21(29)19-20(25(2)23(28)30)24-22-26(13-6-14-27(19)22)18-7-4-3-5-8-18/h3-5,7-12H,6,13-15H2,1-2H3/p+1