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

Systemtic Name: 9-(3-chlorophenyl)-3-decyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(3-chlorophenyl)-3-decyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(3-chlorophenyl)-3-decyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(3-chlorophenyl)-3-decyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(3-chlorophenyl)-3-decyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C25H34ClN5O2+2 MolecularWeight: 472.02276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H34ClN5O2/c1-3-4-5-6-7-8-9-10-15-31-23(32)21-22(28(2)25(31)33)27-24-29(16-12-17-30(21)24)20-14-11-13-19(26)18-20/h11,13-14,18H,3-10,12,15-17H2,1-2H3/q+2