N-[4-[[6-(cyclopropylamino)-7H-purin-2-yl]amino]phenyl]-N-methyl-propanamide

Systemtic Name: N-[4-[[6-(cyclopropylamino)-7H-purin-2-yl]amino]phenyl]-N-methyl-propanamide Openeye Name: N-[4-[[6-(cyclopropylamino)-7H-purin-2-yl]amino]phenyl]-N-methyl-propanamide CAS Name: N-[4-[[6-(cyclopropylamino)-7H-purin-2-yl]amino]phenyl]-N-methylpropanamide IUPAC Name: N-[4-[[6-(cyclopropylamino)-7H-purin-2-yl]amino]phenyl]-N-methylpropanamide Traditional Name: N-[4-[[6-(cyclopropylamino)-7H-purin-2-yl]amino]phenyl]-N-methyl-propionamide Formula: C18H21N7O MolecularWeight: 351.40564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C)C1=CC=C(C=C1)NC2=NC3=C(C(=N2)NC4CC4)NC=N3

Isomeric SMILES

CCC(=O)N(C)C1=CC=C(C=C1)NC2=NC3=C(C(=N2)NC4CC4)NC=N3

InChI

InChI=1S/C18H21N7O/c1-3-14(26)25(2)13-8-6-12(7-9-13)22-18-23-16-15(19-10-20-16)17(24-18)21-11-4-5-11/h6-11H,3-5H2,1-2H3,(H3,19,20,21,22,23,24)