2-[(4-chlorophenyl)amino]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)amino]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(4-chloroanilino)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-(4-chloroanilino)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(4-chloroanilino)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(4-chloroanilino)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C19H13ClN4O3 MolecularWeight: 380.78452

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C19H13ClN4O3/c20-12-2-4-13(5-3-12)22-19-23-17(14(10-21)18(25)24-19)11-1-6-15-16(9-11)27-8-7-26-15/h1-6,9H,7-8H2,(H2,22,23,24,25)