1,7-dimethyl-3-nonyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione

Systemtic Name: 1,7-dimethyl-3-nonyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Openeye Name: 9-benzyl-1,7-dimethyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione CAS Name: 1,7-dimethyl-3-nonyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione IUPAC Name: 9-benzyl-1,7-dimethyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Traditional Name: 9-benzyl-1,7-dimethyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-quinone Formula: C26H37N5O2+2 MolecularWeight: 451.60428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C(=O)C2=[N+]3CC(C[N+](=C3N=C2N(C1=O)C)CC4=CC=CC=C4)C

Isomeric SMILES

CCCCCCCCCN1C(=O)C2=[N+]3CC(C[N+](=C3N=C2N(C1=O)C)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H37N5O2/c1-4-5-6-7-8-9-13-16-30-24(32)22-23(28(3)26(30)33)27-25-29(17-20(2)18-31(22)25)19-21-14-11-10-12-15-21/h10-12,14-15,20H,4-9,13,16-19H2,1-3H3/q+2