6-methyl-1-(4-methylphenyl)-5-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-methyl-1-(4-methylphenyl)-5-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-methyl-1-(p-tolyl)-5-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-methyl-1-(4-methylphenyl)-5-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 6-methyl-1-(4-methylphenyl)-5-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-methyl-1-(p-tolyl)-5-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-one Formula: C24H26N5O+ MolecularWeight: 400.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C(=N3)C)C4=CC=C(C=C4)C[NH+]5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C(=N3)C)C4=CC=C(C=C4)C[NH+]5CCCC5

InChI

InChI=1S/C24H25N5O/c1-17-5-9-21(10-6-17)29-23-22(15-25-29)24(30)28(18(2)26-23)20-11-7-19(8-12-20)16-27-13-3-4-14-27/h5-12,15H,3-4,13-14,16H2,1-2H3/p+1