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

Systemtic Name: 3-heptyl-1,7-dimethyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Openeye Name: 9-benzyl-3-heptyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione CAS Name: 3-heptyl-1,7-dimethyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione IUPAC Name: 9-benzyl-3-heptyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Traditional Name: 9-benzyl-3-heptyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-quinone Formula: C24H33N5O2+2 MolecularWeight: 423.55112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C2=[N+]3CC(C[N+](=C3N=C2N(C1=O)C)CC4=CC=CC=C4)C

Isomeric SMILES

CCCCCCCN1C(=O)C2=[N+]3CC(C[N+](=C3N=C2N(C1=O)C)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H33N5O2/c1-4-5-6-7-11-14-28-22(30)20-21(26(3)24(28)31)25-23-27(15-18(2)16-29(20)23)17-19-12-9-8-10-13-19/h8-10,12-13,18H,4-7,11,14-17H2,1-3H3/q+2