methyl 2-ethyl-5-[[(3-ethyl-4-oxidanylidene-quinazolin-2-yl)amino]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-ethyl-5-[[(3-ethyl-4-oxidanylidene-quinazolin-2-yl)amino]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-ethyl-5-[[(3-ethyl-4-oxo-quinazolin-2-yl)amino]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate CAS Name: 2-ethyl-5-[[(3-ethyl-4-oxo-2-quinazolinyl)hydrazo]-oxomethyl]-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-5-[[(3-ethyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-5-[[(3-ethyl-4-keto-quinazolin-2-yl)amino]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NNC2=NC3=CC=CC=C3C(=O)N2CC)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NNC2=NC3=CC=CC=C3C(=O)N2CC)C)C(=O)OC

InChI

InChI=1S/C20H23N5O4/c1-5-13-15(19(28)29-4)11(3)16(21-13)17(26)23-24-20-22-14-10-8-7-9-12(14)18(27)25(20)6-2/h7-10,21H,5-6H2,1-4H3,(H,22,24)(H,23,26)