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

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)amino]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(3-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(3-methoxyphenyl)piperazino]ethanone Formula: C18H20ClN7O2 MolecularWeight: 401.8501

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CNC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CNC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C18H20ClN7O2/c1-28-13-4-2-3-12(9-13)25-5-7-26(8-6-25)14(27)10-20-16-15-17(22-11-21-15)24-18(19)23-16/h2-4,9,11H,5-8,10H2,1H3,(H2,20,21,22,23,24)