6-azanyl-9-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-1-methyl-purin-2-one

Systemtic Name: 6-azanyl-9-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-1-methyl-purin-2-one Openeye Name: 6-amino-9-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-1-methyl-purin-2-one CAS Name: 6-amino-9-[3-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]propyl]-1-methyl-2-purinone IUPAC Name: 6-amino-9-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-1-methylpurin-2-one Traditional Name: 6-amino-9-[3-[4-(4-chlorobenzyl)piperazino]propyl]-1-methyl-purin-2-one Formula: C20H26ClN7O MolecularWeight: 415.91974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=NC1=O)N(C=N2)CCCN3CCN(CC3)CC4=CC=C(C=C4)Cl)N

Isomeric SMILES

CN1C(=C2C(=NC1=O)N(C=N2)CCCN3CCN(CC3)CC4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C20H26ClN7O/c1-25-18(22)17-19(24-20(25)29)28(14-23-17)8-2-7-26-9-11-27(12-10-26)13-15-3-5-16(21)6-4-15/h3-6,14H,2,7-13,22H2,1H3