methyl 3-[(4-chlorophenyl)carbamoylamino]-5-methyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate

Systemtic Name: methyl 3-[(4-chlorophenyl)carbamoylamino]-5-methyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate Openeye Name: methyl 3-[(4-chlorophenyl)carbamoylamino]-5-methyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate CAS Name: 3-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-chlorophenyl)carbamoylamino]-5-methyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate Traditional Name: 3-[(4-chlorophenyl)carbamoylamino]-5-methyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylic acid methyl ester Formula: C21H17ClN6O3 MolecularWeight: 436.85108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=NN=C(N12)NC(=O)NC3=CC=C(C=C3)Cl)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC2=NN=C(N12)NC(=O)NC3=CC=C(C=C3)Cl)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C21H17ClN6O3/c1-12-16(13-6-4-3-5-7-13)17(18(29)31-2)24-19-26-27-20(28(12)19)25-21(30)23-15-10-8-14(22)9-11-15/h3-11H,1-2H3,(H2,23,25,27,30)