N-(3,3-dimethylbutyl)-4-(7H-purin-6-yl)benzamide

Systemtic Name: N-(3,3-dimethylbutyl)-4-(7H-purin-6-yl)benzamide Openeye Name: N-(3,3-dimethylbutyl)-4-(7H-purin-6-yl)benzamide CAS Name: N-(3,3-dimethylbutyl)-4-(7H-purin-6-yl)benzamide IUPAC Name: N-(3,3-dimethylbutyl)-4-(7H-purin-6-yl)benzamide Traditional Name: N-(3,3-dimethylbutyl)-4-(7H-purin-6-yl)benzamide Formula: C18H21N5O MolecularWeight: 323.39224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNC(=O)C1=CC=C(C=C1)C2=C3C(=NC=N2)N=CN3

Isomeric SMILES

CC(C)(C)CCNC(=O)C1=CC=C(C=C1)C2=C3C(=NC=N2)N=CN3

InChI

InChI=1S/C18H21N5O/c1-18(2,3)8-9-19-17(24)13-6-4-12(5-7-13)14-15-16(22-10-20-14)23-11-21-15/h4-7,10-11H,8-9H2,1-3H3,(H,19,24)(H,20,21,22,23)