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

Systemtic Name: 2-(3-methoxyphenyl)-1-[4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazin-1-yl]ethanone Openeye Name: 2-(3-methoxyphenyl)-1-[4-[9-(m-tolylmethyl)-6-(tetrahydrofuran-2-ylmethylamino)purin-2-yl]piperazin-1-yl]ethanone CAS Name: 2-(3-methoxyphenyl)-1-[4-[9-[(3-methylphenyl)methyl]-6-(2-oxolanylmethylamino)-2-purinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3-methoxyphenyl)-1-[4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazin-1-yl]ethanone Traditional Name: 2-(3-methoxyphenyl)-1-[4-[9-(3-methylbenzyl)-6-(tetrahydrofurfurylamino)purin-2-yl]piperazino]ethanone Formula: C31H37N7O3 MolecularWeight: 555.67058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4CCCO4)N5CCN(CC5)C(=O)CC6=CC(=CC=C6)OC

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4CCCO4)N5CCN(CC5)C(=O)CC6=CC(=CC=C6)OC

InChI

InChI=1S/C31H37N7O3/c1-22-6-3-8-24(16-22)20-38-21-33-28-29(32-19-26-10-5-15-41-26)34-31(35-30(28)38)37-13-11-36(12-14-37)27(39)18-23-7-4-9-25(17-23)40-2/h3-4,6-9,16-17,21,26H,5,10-15,18-20H2,1-2H3,(H,32,34,35)