1,3-dimethyl-6-oxidanyl-7,9,9-tris(phenylmethyl)-2H-purino[7,8-a]pyrimidin-9-ium-4,8-dione

Systemtic Name: 1,3-dimethyl-6-oxidanyl-7,9,9-tris(phenylmethyl)-2H-purino[7,8-a]pyrimidin-9-ium-4,8-dione Openeye Name: 7,9,9-tribenzyl-6-hydroxy-1,3-dimethyl-2H-purino[7,8-a]pyrimidin-9-ium-4,8-dione CAS Name: 6-hydroxy-1,3-dimethyl-7,9,9-tris(phenylmethyl)-2H-purino[7,8-a]pyrimidin-9-ium-4,8-dione IUPAC Name: 7,9,9-tribenzyl-6-hydroxy-1,3-dimethyl-2H-purino[7,8-a]pyrimidin-9-ium-4,8-dione Traditional Name: 7,9,9-tribenzyl-6-hydroxy-1,3-dimethyl-2H-purino[7,8-a]pyrimidin-9-ium-4,8-quinone Formula: C31H30N5O3+ MolecularWeight: 520.6016

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C(=O)C2=C1N=C3N2C(=C(C(=O)[N+]3(CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6)O)C

Isomeric SMILES

CN1CN(C(=O)C2=C1N=C3N2C(=C(C(=O)[N+]3(CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6)O)C

InChI

InChI=1S/C31H29N5O3/c1-33-21-34(2)29(38)26-27(33)32-31-35(26)28(37)25(18-22-12-6-3-7-13-22)30(39)36(31,19-23-14-8-4-9-15-23)20-24-16-10-5-11-17-24/h3-17H,18-21H2,1-2H3/p+1