N4-(5-chloranyl-2,4-dimethoxy-phenyl)-N6-(4-ethylphenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-(5-chloranyl-2,4-dimethoxy-phenyl)-N6-(4-ethylphenyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(5-chloro-2,4-dimethoxy-phenyl)-N6-(4-ethylphenyl)pyrimidine-4,5,6-triamine CAS Name: N4-(5-chloro-2,4-dimethoxyphenyl)-N6-(4-ethylphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(5-chloro-2,4-dimethoxy-anilino)pyrimidin-4-yl]-(4-ethylphenyl)amine Formula: C20H22ClN5O2 MolecularWeight: 399.87398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=C(C=C3OC)OC)Cl)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=C(C=C3OC)OC)Cl)N

InChI

InChI=1S/C20H22ClN5O2/c1-4-12-5-7-13(8-6-12)25-19-18(22)20(24-11-23-19)26-15-9-14(21)16(27-2)10-17(15)28-3/h5-11H,4,22H2,1-3H3,(H2,23,24,25,26)