2-chloranyl-9-methyl-7-(phenylmethyl)-6-piperazin-1-yl-purin-8-one

Systemtic Name: 2-chloranyl-9-methyl-7-(phenylmethyl)-6-piperazin-1-yl-purin-8-one Openeye Name: 7-benzyl-2-chloro-9-methyl-6-piperazin-1-yl-purin-8-one CAS Name: 2-chloro-9-methyl-7-(phenylmethyl)-6-(1-piperazinyl)-8-purinone IUPAC Name: 7-benzyl-2-chloro-9-methyl-6-piperazin-1-ylpurin-8-one Traditional Name: 7-benzyl-2-chloro-9-methyl-6-piperazino-purin-8-one Formula: C17H19ClN6O MolecularWeight: 358.82536

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)Cl)N3CCNCC3)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=NC(=N2)Cl)N3CCNCC3)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C17H19ClN6O/c1-22-14-13(24(17(22)25)11-12-5-3-2-4-6-12)15(21-16(18)20-14)23-9-7-19-8-10-23/h2-6,19H,7-11H2,1H3