2-azanyl-N-[4-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]-3-oxidanyl-propanamide

Systemtic Name: 2-azanyl-N-[4-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]-3-oxidanyl-propanamide Openeye Name: 2-amino-N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-3-hydroxy-propanamide CAS Name: 2-amino-N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-3-hydroxypropanamide IUPAC Name: 2-amino-N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-3-hydroxypropanamide Traditional Name: 2-amino-N-[4-[2-(4-chloroanilino)-5-cyano-4-keto-1H-pyrimidin-6-yl]phenyl]-3-hydroxy-propionamide Formula: C20H17ClN6O3 MolecularWeight: 424.84038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)Cl)C#N)NC(=O)C(CO)N

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)Cl)C#N)NC(=O)C(CO)N

InChI

InChI=1S/C20H17ClN6O3/c21-12-3-7-14(8-4-12)25-20-26-17(15(9-22)18(29)27-20)11-1-5-13(6-2-11)24-19(30)16(23)10-28/h1-8,16,28H,10,23H2,(H,24,30)(H2,25,26,27,29)