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

Systemtic Name: N-[3-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]-3-methoxy-propanamide Openeye Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-3-methoxy-propanamide CAS Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-3-methoxypropanamide IUPAC Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-3-methoxypropanamide Traditional Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-keto-1H-pyrimidin-6-yl]phenyl]-3-methoxy-propionamide Formula: C21H18ClN5O3 MolecularWeight: 423.85232

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Descriptors Computed from Structure

Canonical SMILES:

COCCC(=O)NC1=CC=CC(=C1)C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

COCCC(=O)NC1=CC=CC(=C1)C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C21H18ClN5O3/c1-30-10-9-18(28)24-16-4-2-3-13(11-16)19-17(12-23)20(29)27-21(26-19)25-15-7-5-14(22)6-8-15/h2-8,11H,9-10H2,1H3,(H,24,28)(H2,25,26,27,29)