2-[4-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]guanidine

Systemtic Name: 2-[4-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]guanidine Openeye Name: 2-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]guanidine CAS Name: 2-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]guanidine IUPAC Name: 2-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]guanidine Traditional Name: 2-[4-[2-(4-chloroanilino)-5-cyano-4-keto-1H-pyrimidin-6-yl]phenyl]guanidine Formula: C18H14ClN7O MolecularWeight: 379.80306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)Cl)C#N)N=C(N)N

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)Cl)C#N)N=C(N)N

InChI

InChI=1S/C18H14ClN7O/c19-11-3-7-13(8-4-11)24-18-25-15(14(9-20)16(27)26-18)10-1-5-12(6-2-10)23-17(21)22/h1-8H,(H4,21,22,23)(H2,24,25,26,27)