1,3-benzodioxol-5-yl-[6-cyclopentyl-9-(phenylmethyl)purin-2-yl]methanol

Systemtic Name: 1,3-benzodioxol-5-yl-[6-cyclopentyl-9-(phenylmethyl)purin-2-yl]methanol Openeye Name: 1,3-benzodioxol-5-yl-(9-benzyl-6-cyclopentyl-purin-2-yl)methanol CAS Name: 1,3-benzodioxol-5-yl-[6-cyclopentyl-9-(phenylmethyl)-2-purinyl]methanol IUPAC Name: 1,3-benzodioxol-5-yl-(9-benzyl-6-cyclopentylpurin-2-yl)methanol Traditional Name: 1,3-benzodioxol-5-yl-(9-benzyl-6-cyclopentyl-purin-2-yl)methanol Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=C3C(=NC(=N2)C(C4=CC5=C(C=C4)OCO5)O)N(C=N3)CC6=CC=CC=C6

Isomeric SMILES

C1CCC(C1)C2=C3C(=NC(=N2)C(C4=CC5=C(C=C4)OCO5)O)N(C=N3)CC6=CC=CC=C6

InChI

InChI=1S/C25H24N4O3/c30-23(18-10-11-19-20(12-18)32-15-31-19)24-27-21(17-8-4-5-9-17)22-25(28-24)29(14-26-22)13-16-6-2-1-3-7-16/h1-3,6-7,10-12,14,17,23,30H,4-5,8-9,13,15H2