3-cyano-5-methyl-6-[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl]pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 3-cyano-5-methyl-6-[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl]pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 3-cyano-5-methyl-6-[2-(o-tolylmethylamino)-2-oxo-ethyl]pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 3-cyano-5-methyl-6-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 3-cyano-5-methyl-6-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 3-cyano-6-[2-keto-2-[(2-methylbenzyl)amino]ethyl]-5-methyl-pyrazolo[1,5-a]pyrimidin-7-olate Formula: C18H16N5O2- MolecularWeight: 334.35194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)CC2=C(N3C(=C(C=N3)C#N)N=C2C)[O-]

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)CC2=C(N3C(=C(C=N3)C#N)N=C2C)[O-]

InChI

InChI=1S/C18H17N5O2/c1-11-5-3-4-6-13(11)9-20-16(24)7-15-12(2)22-17-14(8-19)10-21-23(17)18(15)25/h3-6,10,25H,7,9H2,1-2H3,(H,20,24)/p-1