5-[(2-chloranyl-5-methyl-phenyl)amino]-4-(6-methyl-7H-purin-9-ium-9-yl)-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 5-[(2-chloranyl-5-methyl-phenyl)amino]-4-(6-methyl-7H-purin-9-ium-9-yl)-2-phenyl-4H-pyrazol-3-one Openeye Name: 5-(2-chloro-5-methyl-anilino)-4-(6-methyl-7H-purin-9-ium-9-yl)-2-phenyl-4H-pyrazol-3-one CAS Name: 5-(2-chloro-5-methylanilino)-4-(6-methyl-7H-purin-9-ium-9-yl)-2-phenyl-4H-pyrazol-3-one IUPAC Name: 5-(2-chloro-5-methylanilino)-4-(6-methyl-7H-purin-9-ium-9-yl)-2-phenyl-4H-pyrazol-3-one Traditional Name: 5-(2-chloro-5-methyl-anilino)-4-(6-methyl-7H-purin-9-ium-9-yl)-2-phenyl-2-pyrazolin-3-one Formula: C22H19ClN7O+ MolecularWeight: 432.88556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)NC2=NN(C(=O)C2[N+]3=CNC4=C(N=CN=C43)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)NC2=NN(C(=O)C2[N+]3=CNC4=C(N=CN=C43)C)C5=CC=CC=C5

InChI

InChI=1S/C22H18ClN7O/c1-13-8-9-16(23)17(10-13)27-20-19(22(31)30(28-20)15-6-4-3-5-7-15)29-12-26-18-14(2)24-11-25-21(18)29/h3-12,19H,1-2H3,(H,27,28)/p+1