3-benzamido-5-methyl-2-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 3-benzamido-5-methyl-2-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 3-benzamido-2-(benzylamino)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 3-benzamido-5-methyl-2-[(phenylmethyl)amino]-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 3-benzamido-2-(benzylamino)-5-methylpyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 3-benzamido-2-(benzylamino)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-olate Formula: C21H18N5O2- MolecularWeight: 372.39992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)[O-])NCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)[O-])NCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5O2/c1-14-12-17(27)26-20(23-14)18(24-21(28)16-10-6-3-7-11-16)19(25-26)22-13-15-8-4-2-5-9-15/h2-12,27H,13H2,1H3,(H,22,25)(H,24,28)/p-1