4-azanyl-6-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]pyrimidine-5-carbaldehyde hydrochloride

Systemtic Name: 4-azanyl-6-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]pyrimidine-5-carbaldehyde hydrochloride Openeye Name: 4-amino-6-(4-benzyloxy-3-chloro-anilino)pyrimidine-5-carbaldehyde hydrochloride CAS Name: 4-amino-6-(3-chloro-4-phenylmethoxyanilino)-5-pyrimidinecarboxaldehyde hydrochloride IUPAC Name: 4-amino-6-(3-chloro-4-phenylmethoxyanilino)pyrimidine-5-carbaldehyde hydrochloride Traditional Name: 4-amino-6-(4-benzoxy-3-chloro-anilino)pyrimidine-5-carbaldehyde hydrochloride Formula: C18H16Cl2N4O2 MolecularWeight: 391.25124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)NC3=NC=NC(=C3C=O)N)Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)NC3=NC=NC(=C3C=O)N)Cl.Cl

InChI

InChI=1S/C18H15ClN4O2.ClH/c19-15-8-13(23-18-14(9-24)17(20)21-11-22-18)6-7-16(15)25-10-12-4-2-1-3-5-12;/h1-9,11H,10H2,(H3,20,21,22,23);1H