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

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)amino]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(1,3-benzodioxol-5-yl)-2-(4-chloroanilino)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(1,3-benzodioxol-5-yl)-2-(4-chloroanilino)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2-(4-chloroanilino)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(1,3-benzodioxol-5-yl)-2-(4-chloroanilino)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C18H11ClN4O3 MolecularWeight: 366.75794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C18H11ClN4O3/c19-11-2-4-12(5-3-11)21-18-22-16(13(8-20)17(24)23-18)10-1-6-14-15(7-10)26-9-25-14/h1-7H,9H2,(H2,21,22,23,24)