[4-[6-[(2-methoxyphenyl)methylamino]-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[6-[(2-methoxyphenyl)methylamino]-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[9-benzyl-6-[(2-methoxyphenyl)methylamino]purin-2-yl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[6-[(2-methoxyphenyl)methylamino]-9-(phenylmethyl)-2-purinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[9-benzyl-6-[(2-methoxyphenyl)methylamino]purin-2-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[9-benzyl-6-(o-anisylamino)purin-2-yl]piperazino]-(2-thienyl)methanone Formula: C29H29N7O2S MolecularWeight: 539.65126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)C(=O)C6=CC=CS6

Isomeric SMILES

COC1=CC=CC=C1CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)C(=O)C6=CC=CS6

InChI

InChI=1S/C29H29N7O2S/c1-38-23-11-6-5-10-22(23)18-30-26-25-27(36(20-31-25)19-21-8-3-2-4-9-21)33-29(32-26)35-15-13-34(14-16-35)28(37)24-12-7-17-39-24/h2-12,17,20H,13-16,18-19H2,1H3,(H,30,32,33)