3-cyclopentyl-1-[4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-cyclopentyl-1-[4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazin-1-yl]propan-1-one Openeye Name: 3-cyclopentyl-1-[4-[9-(m-tolylmethyl)-6-(tetrahydrofuran-2-ylmethylamino)purin-2-yl]piperazin-1-yl]propan-1-one CAS Name: 3-cyclopentyl-1-[4-[9-[(3-methylphenyl)methyl]-6-(2-oxolanylmethylamino)-2-purinyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-cyclopentyl-1-[4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazin-1-yl]propan-1-one Traditional Name: 3-cyclopentyl-1-[4-[9-(3-methylbenzyl)-6-(tetrahydrofurfurylamino)purin-2-yl]piperazino]propan-1-one Formula: C30H41N7O2 MolecularWeight: 531.69224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4CCCO4)N5CCN(CC5)C(=O)CCC6CCCC6

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4CCCO4)N5CCN(CC5)C(=O)CCC6CCCC6

InChI

InChI=1S/C30H41N7O2/c1-22-6-4-9-24(18-22)20-37-21-32-27-28(31-19-25-10-5-17-39-25)33-30(34-29(27)37)36-15-13-35(14-16-36)26(38)12-11-23-7-2-3-8-23/h4,6,9,18,21,23,25H,2-3,5,7-8,10-17,19-20H2,1H3,(H,31,33,34)