7-azanyl-6-[4-[(3-methylphenyl)carbamoylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Systemtic Name: 7-azanyl-6-[4-[(3-methylphenyl)carbamoylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 7-amino-6-[4-(m-tolylcarbamoylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 7-amino-6-[4-[[(3-methylanilino)-oxomethyl]amino]phenyl]-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 7-amino-6-[4-[(3-methylphenyl)carbamoylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 7-amino-6-[4-(m-tolylcarbamoylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C21H18N6O3 MolecularWeight: 402.40602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)C3=C(N4C(=C(C=N4)C(=O)O)N=C3)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)C3=C(N4C(=C(C=N4)C(=O)O)N=C3)N

InChI

InChI=1S/C21H18N6O3/c1-12-3-2-4-15(9-12)26-21(30)25-14-7-5-13(6-8-14)16-10-23-19-17(20(28)29)11-24-27(19)18(16)22/h2-11H,22H2,1H3,(H,28,29)(H2,25,26,30)