3-(7-cyano-6-methyl-4-oxidanylidene-5-phenyl-pyrrolo[3,2-d]pyrimidin-3-yl)propyl-dimethyl-azanium

Systemtic Name: 3-(7-cyano-6-methyl-4-oxidanylidene-5-phenyl-pyrrolo[3,2-d]pyrimidin-3-yl)propyl-dimethyl-azanium Openeye Name: 3-(7-cyano-6-methyl-4-oxo-5-phenyl-pyrrolo[3,2-d]pyrimidin-3-yl)propyl-dimethyl-ammonium CAS Name: 3-(7-cyano-6-methyl-4-oxo-5-phenyl-3-pyrrolo[3,2-d]pyrimidinyl)propyl-dimethylammonium IUPAC Name: 3-(7-cyano-6-methyl-4-oxo-5-phenylpyrrolo[3,2-d]pyrimidin-3-yl)propyl-dimethylazanium Traditional Name: 3-(7-cyano-4-keto-6-methyl-5-phenyl-pyrrolo[3,2-d]pyrimidin-3-yl)propyl-dimethyl-ammonium Formula: C19H22N5O+ MolecularWeight: 336.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=CC=CC=C3)C(=O)N(C=N2)CCC[NH+](C)C)C#N

Isomeric SMILES

CC1=C(C2=C(N1C3=CC=CC=C3)C(=O)N(C=N2)CCC[NH+](C)C)C#N

InChI

InChI=1S/C19H21N5O/c1-14-16(12-20)17-18(24(14)15-8-5-4-6-9-15)19(25)23(13-21-17)11-7-10-22(2)3/h4-6,8-9,13H,7,10-11H2,1-3H3/p+1