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

Systemtic Name: [4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazin-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[9-(m-tolylmethyl)-6-(tetrahydrofuran-2-ylmethylamino)purin-2-yl]piperazin-1-yl]-(3-pyridyl)methanone CAS Name: [4-[9-[(3-methylphenyl)methyl]-6-(2-oxolanylmethylamino)-2-purinyl]-1-piperazinyl]-(3-pyridinyl)methanone IUPAC Name: [4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-[9-(3-methylbenzyl)-6-(tetrahydrofurfurylamino)purin-2-yl]piperazino]-(3-pyridyl)methanone Formula: C28H32N8O2 MolecularWeight: 512.60608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N8O2/c1-20-5-2-6-21(15-20)18-36-19-31-24-25(30-17-23-8-4-14-38-23)32-28(33-26(24)36)35-12-10-34(11-13-35)27(37)22-7-3-9-29-16-22/h2-3,5-7,9,15-16,19,23H,4,8,10-14,17-18H2,1H3,(H,30,32,33)