3-heptyl-1-methyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione

Systemtic Name: 3-heptyl-1-methyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Openeye Name: 3-heptyl-1-methyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione CAS Name: 3-heptyl-1-methyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione IUPAC Name: 3-heptyl-1-methyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Traditional Name: 3-heptyl-1-methyl-9-phenethyl-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+]3CCC[N+](=C3N=C2N(C1=O)C)CCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCN1C(=O)C2=[N+]3CCC[N+](=C3N=C2N(C1=O)C)CCC4=CC=CC=C4

InChI

InChI=1S/C24H33N5O2/c1-3-4-5-6-10-16-29-22(30)20-21(26(2)24(29)31)25-23-27(15-11-17-28(20)23)18-14-19-12-8-7-9-13-19/h7-9,12-13H,3-6,10-11,14-18H2,1-2H3/q+2