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

Systemtic Name: 2-methoxy-1-[4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazin-1-yl]ethanone Openeye Name: 2-methoxy-1-[4-[9-(m-tolylmethyl)-6-(tetrahydrofuran-2-ylmethylamino)purin-2-yl]piperazin-1-yl]ethanone CAS Name: 2-methoxy-1-[4-[9-[(3-methylphenyl)methyl]-6-(2-oxolanylmethylamino)-2-purinyl]-1-piperazinyl]ethanone IUPAC Name: 2-methoxy-1-[4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazin-1-yl]ethanone Traditional Name: 2-methoxy-1-[4-[9-(3-methylbenzyl)-6-(tetrahydrofurfurylamino)purin-2-yl]piperazino]ethanone Formula: C25H33N7O3 MolecularWeight: 479.57462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N7O3/c1-18-5-3-6-19(13-18)15-32-17-27-22-23(26-14-20-7-4-12-35-20)28-25(29-24(22)32)31-10-8-30(9-11-31)21(33)16-34-2/h3,5-6,13,17,20H,4,7-12,14-16H2,1-2H3,(H,26,28,29)