9-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propyl]-3H-purin-6-one

Systemtic Name: 9-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propyl]-3H-purin-6-one Openeye Name: 9-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-propyl]-3H-purin-6-one CAS Name: 9-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxypropyl]-3H-purin-6-one IUPAC Name: 9-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]-3H-purin-6-one Traditional Name: 9-[3-(4-benzhydrylpiperazino)-2-hydroxy-propyl]-3H-purin-6-one Formula: C25H28N6O2 MolecularWeight: 444.52882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C=NC3=C2NC=NC3=O)O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC(CN2C=NC3=C2NC=NC3=O)O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H28N6O2/c32-21(16-31-18-28-22-24(31)26-17-27-25(22)33)15-29-11-13-30(14-12-29)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,17-18,21,23,32H,11-16H2,(H,26,27,33)