[4-[3-(2-methylthiophen-3-yl)phenyl]-1-(7H-purin-6-yl)piperidin-4-yl]methanamine

Systemtic Name: [4-[3-(2-methylthiophen-3-yl)phenyl]-1-(7H-purin-6-yl)piperidin-4-yl]methanamine Openeye Name: [4-[3-(2-methyl-3-thienyl)phenyl]-1-(7H-purin-6-yl)-4-piperidyl]methanamine CAS Name: [4-[3-(2-methyl-3-thiophenyl)phenyl]-1-(7H-purin-6-yl)-4-piperidinyl]methanamine IUPAC Name: [4-[3-(2-methylthiophen-3-yl)phenyl]-1-(7H-purin-6-yl)piperidin-4-yl]methanamine Traditional Name: [4-[3-(2-methyl-3-thienyl)phenyl]-1-(7H-purin-6-yl)-4-piperidyl]methylamine Formula: C22H24N6S MolecularWeight: 404.53116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CS1)C2=CC(=CC=C2)C3(CCN(CC3)C4=NC=NC5=C4NC=N5)CN

Isomeric SMILES

CC1=C(C=CS1)C2=CC(=CC=C2)C3(CCN(CC3)C4=NC=NC5=C4NC=N5)CN

InChI

InChI=1S/C22H24N6S/c1-15-18(5-10-29-15)16-3-2-4-17(11-16)22(12-23)6-8-28(9-7-22)21-19-20(25-13-24-19)26-14-27-21/h2-5,10-11,13-14H,6-9,12,23H2,1H3,(H,24,25,26,27)