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

Systemtic Name: 3-decyl-1-methyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Openeye Name: 9-benzyl-3-decyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione CAS Name: 3-decyl-1-methyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione IUPAC Name: 9-benzyl-3-decyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Traditional Name: 9-benzyl-3-decyl-1-methyl-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:

CCCCCCCCCCN1C(=O)C2=[N+]3CCC[N+](=C3N=C2N(C1=O)C)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCN1C(=O)C2=[N+]3CCC[N+](=C3N=C2N(C1=O)C)CC4=CC=CC=C4

InChI

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