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

Systemtic Name: 3-dodecyl-9-(4-ethoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 3-dodecyl-9-(4-ethoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 3-dodecyl-9-(4-ethoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 3-dodecyl-9-(4-ethoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 3-lauryl-1,7-dimethyl-9-p-phenetyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C30H45N5O3+2 MolecularWeight: 523.71

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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)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C30H45N5O3/c1-5-7-8-9-10-11-12-13-14-15-20-33-28(36)26-27(32(4)30(33)37)31-29-34(21-23(3)22-35(26)29)24-16-18-25(19-17-24)38-6-2/h16-19,23H,5-15,20-22H2,1-4H3/q+2