methyl 3-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]thiophene-2-carboxylate CAS Name: 3-[[3-(2,4-dimethyl-3-pyrimido[1,2-b]indazolyl)-1-oxopropyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]thiophene-2-carboxylate Traditional Name: 3-[3-(2,4-dimethylpyrimid[1,2-b]indazol-3-yl)propanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)NC4=C(SC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)NC4=C(SC=C4)C(=O)OC

InChI

InChI=1S/C21H20N4O3S/c1-12-14(8-9-18(26)23-17-10-11-29-19(17)21(27)28-3)13(2)25-20(22-12)15-6-4-5-7-16(15)24-25/h4-7,10-11H,8-9H2,1-3H3,(H,23,26)