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

Systemtic Name: 3-heptyl-1,7-dimethyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Openeye Name: 3-heptyl-1,7-dimethyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione CAS Name: 3-heptyl-1,7-dimethyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione IUPAC Name: 3-heptyl-1,7-dimethyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Traditional Name: 3-heptyl-1,7-dimethyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-quinone Formula: C25H35N5O2+2 MolecularWeight: 437.5777

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N5O2/c1-4-5-6-7-11-15-29-23(31)21-22(27(3)25(29)32)26-24-28(17-19(2)18-30(21)24)16-14-20-12-9-8-10-13-20/h8-10,12-13,19H,4-7,11,14-18H2,1-3H3/q+2