2-[2-(3-chloranyl-4-oxidanyl-phenyl)ethylamino]-4-[(phenylmethyl)amino]pyrimidine-5-carboxamide

Systemtic Name: 2-[2-(3-chloranyl-4-oxidanyl-phenyl)ethylamino]-4-[(phenylmethyl)amino]pyrimidine-5-carboxamide Openeye Name: 4-(benzylamino)-2-[2-(3-chloro-4-hydroxy-phenyl)ethylamino]pyrimidine-5-carboxamide CAS Name: 2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]-4-[(phenylmethyl)amino]-5-pyrimidinecarboxamide IUPAC Name: 4-(benzylamino)-2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidine-5-carboxamide Traditional Name: 4-(benzylamino)-2-[2-(3-chloro-4-hydroxy-phenyl)ethylamino]pyrimidine-5-carboxamide Formula: C20H20ClN5O2 MolecularWeight: 397.8581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC=C2C(=O)N)NCCC3=CC(=C(C=C3)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC=C2C(=O)N)NCCC3=CC(=C(C=C3)O)Cl

InChI

InChI=1S/C20H20ClN5O2/c21-16-10-13(6-7-17(16)27)8-9-23-20-25-12-15(18(22)28)19(26-20)24-11-14-4-2-1-3-5-14/h1-7,10,12,27H,8-9,11H2,(H2,22,28)(H2,23,24,25,26)