4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-N-pyrimidin-5-yl-pyrimidine-5-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-N-pyrimidin-5-yl-pyrimidine-5-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-N-pyrimidin-5-yl-pyrimidine-5-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(methylthio)-N-(5-pyrimidinyl)-5-pyrimidinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfanyl-N-pyrimidin-5-ylpyrimidine-5-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-2-(methylthio)-N-(5-pyrimidyl)pyrimidine-5-carboxamide Formula: C18H17ClN6O2S MolecularWeight: 416.88458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NC3=CN=CN=C3)SC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NC3=CN=CN=C3)SC)Cl

InChI

InChI=1S/C18H17ClN6O2S/c1-27-15-4-3-11(5-14(15)19)6-22-16-13(9-23-18(25-16)28-2)17(26)24-12-7-20-10-21-8-12/h3-5,7-10H,6H2,1-2H3,(H,24,26)(H,22,23,25)