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

Systemtic Name: cyclopropyl-[4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazin-1-yl]methanone Openeye Name: cyclopropyl-[4-[9-(m-tolylmethyl)-6-(tetrahydrofuran-2-ylmethylamino)purin-2-yl]piperazin-1-yl]methanone CAS Name: cyclopropyl-[4-[9-[(3-methylphenyl)methyl]-6-(2-oxolanylmethylamino)-2-purinyl]-1-piperazinyl]methanone IUPAC Name: cyclopropyl-[4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazin-1-yl]methanone Traditional Name: cyclopropyl-[4-[9-(3-methylbenzyl)-6-(tetrahydrofurfurylamino)purin-2-yl]piperazino]methanone Formula: C26H33N7O2 MolecularWeight: 475.58592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4CCCO4)N5CCN(CC5)C(=O)C6CC6

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4CCCO4)N5CCN(CC5)C(=O)C6CC6

InChI

InChI=1S/C26H33N7O2/c1-18-4-2-5-19(14-18)16-33-17-28-22-23(27-15-21-6-3-13-35-21)29-26(30-24(22)33)32-11-9-31(10-12-32)25(34)20-7-8-20/h2,4-5,14,17,20-21H,3,6-13,15-16H2,1H3,(H,27,29,30)