6-azanyl-5-(1,3-benzodioxol-5-ylmethylideneamino)-1-(4-chlorophenyl)-2-oxidanylidene-pyrimidine-4-carbonitrile

Systemtic Name: 6-azanyl-5-(1,3-benzodioxol-5-ylmethylideneamino)-1-(4-chlorophenyl)-2-oxidanylidene-pyrimidine-4-carbonitrile Openeye Name: 6-amino-5-(1,3-benzodioxol-5-ylmethyleneamino)-1-(4-chlorophenyl)-2-oxo-pyrimidine-4-carbonitrile CAS Name: 6-amino-5-(1,3-benzodioxol-5-ylmethylideneamino)-1-(4-chlorophenyl)-2-oxo-4-pyrimidinecarbonitrile IUPAC Name: 6-amino-5-(1,3-benzodioxol-5-ylmethylideneamino)-1-(4-chlorophenyl)-2-oxopyrimidine-4-carbonitrile Traditional Name: 6-amino-1-(4-chlorophenyl)-2-keto-5-(piperonylideneamino)pyrimidine-4-carbonitrile Formula: C19H12ClN5O3 MolecularWeight: 393.78328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NC3=C(N(C(=O)N=C3C#N)C4=CC=C(C=C4)Cl)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=NC3=C(N(C(=O)N=C3C#N)C4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C19H12ClN5O3/c20-12-2-4-13(5-3-12)25-18(22)17(14(8-21)24-19(25)26)23-9-11-1-6-15-16(7-11)28-10-27-15/h1-7,9H,10,22H2