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

Systemtic Name: methyl 3-[(4-chlorophenyl)carbamoylamino]-5-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate Openeye Name: methyl 3-[(4-chlorophenyl)carbamoylamino]-5-(2-furyl)-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate CAS Name: 3-[[(4-chloroanilino)-oxomethyl]amino]-5-(2-furanyl)-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-chlorophenyl)carbamoylamino]-5-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate Traditional Name: 3-[(4-chlorophenyl)carbamoylamino]-5-(2-furyl)-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylic acid methyl ester Formula: C18H13ClN6O4 MolecularWeight: 412.78662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC2=NN=C(N2C(=C1)C3=CC=CO3)NC(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=NC2=NN=C(N2C(=C1)C3=CC=CO3)NC(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H13ClN6O4/c1-28-15(26)12-9-13(14-3-2-8-29-14)25-16(21-12)23-24-17(25)22-18(27)20-11-6-4-10(19)5-7-11/h2-9H,1H3,(H2,20,22,24,27)