[1-(2-chloranyl-7H-purin-6-yl)piperidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

Systemtic Name: [1-(2-chloranyl-7H-purin-6-yl)piperidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: [1-(2-chloro-7H-purin-6-yl)-4-piperidyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [1-(2-chloro-7H-purin-6-yl)-4-piperidinyl]-[4-(3-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [1-(2-chloro-7H-purin-6-yl)piperidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [1-(2-chloro-7H-purin-6-yl)-4-piperidyl]-[4-(3-methoxyphenyl)piperazino]methanone Formula: C22H26ClN7O2 MolecularWeight: 455.94054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3CCN(CC3)C4=NC(=NC5=C4NC=N5)Cl

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3CCN(CC3)C4=NC(=NC5=C4NC=N5)Cl

InChI

InChI=1S/C22H26ClN7O2/c1-32-17-4-2-3-16(13-17)28-9-11-30(12-10-28)21(31)15-5-7-29(8-6-15)20-18-19(25-14-24-18)26-22(23)27-20/h2-4,13-15H,5-12H2,1H3,(H,24,25,26,27)