1,1,3-trimethyl-7-(4-phenyl-1,4-diazepan-1-yl)purin-1-ium-2,6-dione

Systemtic Name: 1,1,3-trimethyl-7-(4-phenyl-1,4-diazepan-1-yl)purin-1-ium-2,6-dione Openeye Name: 1,1,3-trimethyl-7-(4-phenyl-1,4-diazepan-1-yl)purin-1-ium-2,6-dione CAS Name: 1,1,3-trimethyl-7-(4-phenyl-1,4-diazepan-1-yl)purin-1-ium-2,6-dione IUPAC Name: 1,1,3-trimethyl-7-(4-phenyl-1,4-diazepan-1-yl)purin-1-ium-2,6-dione Traditional Name: 1,1,3-trimethyl-7-(4-phenyl-1,4-diazepan-1-yl)purin-1-ium-2,6-quinone Formula: C19H25N6O2+ MolecularWeight: 369.4408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)[N+](C1=O)(C)C)N(C=N2)N3CCCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)[N+](C1=O)(C)C)N(C=N2)N3CCCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C19H25N6O2/c1-21-17-16(18(26)25(2,3)19(21)27)24(14-20-17)23-11-7-10-22(12-13-23)15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3/q+1