1-[4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazin-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[9-(m-tolylmethyl)-6-(tetrahydrofuran-2-ylmethylamino)purin-2-yl]piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[9-[(3-methylphenyl)methyl]-6-(2-oxolanylmethylamino)-2-purinyl]-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-[9-(3-methylbenzyl)-6-(tetrahydrofurfurylamino)purin-2-yl]piperazino]-2-phenoxy-ethanone Formula: C30H35N7O3 MolecularWeight: 541.644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4CCCO4)N5CCN(CC5)C(=O)COC6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4CCCO4)N5CCN(CC5)C(=O)COC6=CC=CC=C6

InChI

InChI=1S/C30H35N7O3/c1-22-7-5-8-23(17-22)19-37-21-32-27-28(31-18-25-11-6-16-39-25)33-30(34-29(27)37)36-14-12-35(13-15-36)26(38)20-40-24-9-3-2-4-10-24/h2-5,7-10,17,21,25H,6,11-16,18-20H2,1H3,(H,31,33,34)