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

Systemtic Name: methyl 5-(4-chlorophenyl)-3-[(4-chlorophenyl)carbamoylamino]-6-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate Openeye Name: methyl 5-(4-chlorophenyl)-3-[(4-chlorophenyl)carbamoylamino]-6-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate CAS Name: 3-[[(4-chloroanilino)-oxomethyl]amino]-5-(4-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-chlorophenyl)-3-[(4-chlorophenyl)carbamoylamino]-6-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate Traditional Name: 5-(4-chlorophenyl)-3-[(4-chlorophenyl)carbamoylamino]-6-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylic acid methyl ester Formula: C21H16Cl2N6O3 MolecularWeight: 471.29614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=NN=C2NC(=O)NC3=CC=C(C=C3)Cl)N=C1C(=O)OC)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(N2C(=NN=C2NC(=O)NC3=CC=C(C=C3)Cl)N=C1C(=O)OC)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H16Cl2N6O3/c1-11-16(18(30)32-2)25-19-27-28-20(26-21(31)24-15-9-7-14(23)8-10-15)29(19)17(11)12-3-5-13(22)6-4-12/h3-10H,1-2H3,(H2,24,26,28,31)