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

Systemtic Name: 1,7-dimethyl-3-(2-oxidanylidenepropyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 3-acetonyl-1,7-dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 1,7-dimethyl-3-(2-oxopropyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 1,7-dimethyl-3-(2-oxopropyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 3-acetonyl-1,7-dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C19H21N5O3+2 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=NC3=[N+](C(=O)N(C(=O)C3=[N+]2C1)CC(=O)C)C)C4=CC=CC=C4

Isomeric SMILES

CC1CN(C2=NC3=[N+](C(=O)N(C(=O)C3=[N+]2C1)CC(=O)C)C)C4=CC=CC=C4

InChI

InChI=1S/C19H21N5O3/c1-12-9-22(14-7-5-4-6-8-14)18-20-16-15(23(18)10-12)17(26)24(11-13(2)25)19(27)21(16)3/h4-8,12H,9-11H2,1-3H3/q+2