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

Systemtic Name: 3-dodecyl-1,7-dimethyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 3-dodecyl-1,7-dimethyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 3-dodecyl-1,7-dimethyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 3-dodecyl-1,7-dimethyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 3-lauryl-1,7-dimethyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C34H45N5O3+2 MolecularWeight: 571.7528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=O)C2=[N+]3CC(CN(C3=NC2=[N+](C1=O)C)C4=CC=C(C=C4)OC5=CC=CC=C5)C

Isomeric SMILES

CCCCCCCCCCCCN1C(=O)C2=[N+]3CC(CN(C3=NC2=[N+](C1=O)C)C4=CC=C(C=C4)OC5=CC=CC=C5)C

InChI

InChI=1S/C34H45N5O3/c1-4-5-6-7-8-9-10-11-12-16-23-37-32(40)30-31(36(3)34(37)41)35-33-38(24-26(2)25-39(30)33)27-19-21-29(22-20-27)42-28-17-14-13-15-18-28/h13-15,17-22,26H,4-12,16,23-25H2,1-3H3/q+2