2-[(4-chlorophenyl)amino]-4-oxidanylidene-6-(4-propoxyphenyl)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)amino]-4-oxidanylidene-6-(4-propoxyphenyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(4-chloroanilino)-4-oxo-6-(4-propoxyphenyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-(4-chloroanilino)-4-oxo-6-(4-propoxyphenyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(4-chloroanilino)-4-oxo-6-(4-propoxyphenyl)-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(4-chloroanilino)-4-keto-6-(4-propoxyphenyl)-1H-pyrimidine-5-carbonitrile Formula: C20H17ClN4O2 MolecularWeight: 380.82758

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C20H17ClN4O2/c1-2-11-27-16-9-3-13(4-10-16)18-17(12-22)19(26)25-20(24-18)23-15-7-5-14(21)6-8-15/h3-10H,2,11H2,1H3,(H2,23,24,25,26)