1,3-dimethyl-9-phenethyl-6,7-dihydropurino[7,8-a]pyrimidine-5,9-diium-2,4,8-trione

Systemtic Name: 1,3-dimethyl-9-phenethyl-6,7-dihydropurino[7,8-a]pyrimidine-5,9-diium-2,4,8-trione Openeye Name: 1,3-dimethyl-9-phenethyl-6,7-dihydropurino[7,8-a]pyrimidine-5,9-diium-2,4,8-trione CAS Name: 1,3-dimethyl-9-phenethyl-6,7-dihydropurino[7,8-a]pyrimidine-5,9-diium-2,4,8-trione IUPAC Name: 1,3-dimethyl-9-phenethyl-6,7-dihydropurino[7,8-a]pyrimidine-5,9-diium-2,4,8-trione Traditional Name: 1,3-dimethyl-9-phenethyl-6,7-dihydropurino[7,8-a]pyrimidine-5,9-diium-2,4,8-trione Formula: C18H19N5O3+2 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC3=[N+](C(=O)CC[N+]3=C2C(=O)N(C1=O)C)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=NC3=[N+](C(=O)CC[N+]3=C2C(=O)N(C1=O)C)CCC4=CC=CC=C4

InChI

InChI=1S/C18H19N5O3/c1-20-15-14(16(25)21(2)18(20)26)23-11-9-13(24)22(17(23)19-15)10-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3/q+2