5-azanyl-2,4-bis(2-methylphenyl)-2-pyrimidin-2-yl-pyrazolidin-2-ium-3-one

Systemtic Name: 5-azanyl-2,4-bis(2-methylphenyl)-2-pyrimidin-2-yl-pyrazolidin-2-ium-3-one Openeye Name: 5-amino-2,4-bis(o-tolyl)-2-pyrimidin-2-yl-pyrazolidin-2-ium-3-one CAS Name: 5-amino-2,4-bis(2-methylphenyl)-2-(2-pyrimidinyl)-3-pyrazolidin-2-iumone IUPAC Name: 5-amino-2,4-bis(2-methylphenyl)-2-pyrimidin-2-ylpyrazolidin-2-ium-3-one Traditional Name: 5-amino-2,4-bis(o-tolyl)-2-(2-pyrimidyl)pyrazolidin-2-ium-3-one Formula: C21H22N5O+ MolecularWeight: 360.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(N[N+](C2=O)(C3=CC=CC=C3C)C4=NC=CC=N4)N

Isomeric SMILES

CC1=CC=CC=C1C2C(N[N+](C2=O)(C3=CC=CC=C3C)C4=NC=CC=N4)N

InChI

InChI=1S/C21H22N5O/c1-14-8-3-5-10-16(14)18-19(22)25-26(20(18)27,21-23-12-7-13-24-21)17-11-6-4-9-15(17)2/h3-13,18-19,25H,22H2,1-2H3/q+1