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

Systemtic Name: methyl 4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazine-1-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H31N7O3 MolecularWeight: 465.54804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N7O3/c1-17-5-3-6-18(13-17)15-31-16-26-20-21(25-14-19-7-4-12-34-19)27-23(28-22(20)31)29-8-10-30(11-9-29)24(32)33-2/h3,5-6,13,16,19H,4,7-12,14-15H2,1-2H3,(H,25,27,28)