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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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