phenyl 4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazine-1-carboxylate

Systemtic Name: phenyl 4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazine-1-carboxylate Openeye Name: phenyl 4-[9-(m-tolylmethyl)-6-(tetrahydrofuran-2-ylmethylamino)purin-2-yl]piperazine-1-carboxylate CAS Name: 4-[9-[(3-methylphenyl)methyl]-6-(2-oxolanylmethylamino)-2-purinyl]-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[9-(3-methylbenzyl)-6-(tetrahydrofurfurylamino)purin-2-yl]piperazine-1-carboxylic acid phenyl ester Formula: C29H33N7O3 MolecularWeight: 527.61742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4CCCO4)N5CCN(CC5)C(=O)OC6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4CCCO4)N5CCN(CC5)C(=O)OC6=CC=CC=C6

InChI

InChI=1S/C29H33N7O3/c1-21-7-5-8-22(17-21)19-36-20-31-25-26(30-18-24-11-6-16-38-24)32-28(33-27(25)36)34-12-14-35(15-13-34)29(37)39-23-9-3-2-4-10-23/h2-5,7-10,17,20,24H,6,11-16,18-19H2,1H3,(H,30,32,33)