5-[2-(4-chlorophenyl)ethynyl]-N4-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine

Systemtic Name: 5-[2-(4-chlorophenyl)ethynyl]-N4-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine Openeye Name: 5-[2-(4-chlorophenyl)ethynyl]-N4-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine CAS Name: 5-[2-(4-chlorophenyl)ethynyl]-N4-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine IUPAC Name: 5-[2-(4-chlorophenyl)ethynyl]-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]-(3,4-dimethoxyphenyl)amine Formula: C20H17ClN4O2 MolecularWeight: 380.82758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC=C2C#CC3=CC=C(C=C3)Cl)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC=C2C#CC3=CC=C(C=C3)Cl)N)OC

InChI

InChI=1S/C20H17ClN4O2/c1-26-17-10-9-16(11-18(17)27-2)24-19-14(12-23-20(22)25-19)6-3-13-4-7-15(21)8-5-13/h4-5,7-12H,1-2H3,(H3,22,23,24,25)