methyl 3-(furan-2-ylcarbonylamino)-1-methyl-5-(3-methylbutylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-(furan-2-ylcarbonylamino)-1-methyl-5-(3-methylbutylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-(furan-2-carbonylamino)-5-(isopentylamino)-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[2-furanyl(oxo)methyl]amino]-1-methyl-5-(3-methylbutylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(furan-2-carbonylamino)-1-methyl-5-(3-methylbutylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(2-furoylamino)-5-(isoamylamino)-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=CN=C2C(=C1)C(=C(N2C)C(=O)OC)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)CCNC1=CN=C2C(=C1)C(=C(N2C)C(=O)OC)NC(=O)C3=CC=CO3

InChI

InChI=1S/C20H24N4O4/c1-12(2)7-8-21-13-10-14-16(23-19(25)15-6-5-9-28-15)17(20(26)27-4)24(3)18(14)22-11-13/h5-6,9-12,21H,7-8H2,1-4H3,(H,23,25)