3-[[6-(dimethylamino)-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]amino]phenol

Systemtic Name: 3-[[6-(dimethylamino)-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]amino]phenol Openeye Name: 3-[[2-(4-benzylpiperazin-1-yl)-6-(dimethylamino)pyrimidin-4-yl]amino]phenol CAS Name: 3-[[6-(dimethylamino)-2-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]amino]phenol IUPAC Name: 3-[[2-(4-benzylpiperazin-1-yl)-6-(dimethylamino)pyrimidin-4-yl]amino]phenol Traditional Name: 3-[[2-(4-benzylpiperazino)-6-(dimethylamino)pyrimidin-4-yl]amino]phenol Formula: C23H28N6O MolecularWeight: 404.50802

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=C1)NC2=CC(=CC=C2)O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(C)C1=NC(=NC(=C1)NC2=CC(=CC=C2)O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N6O/c1-27(2)22-16-21(24-19-9-6-10-20(30)15-19)25-23(26-22)29-13-11-28(12-14-29)17-18-7-4-3-5-8-18/h3-10,15-16,30H,11-14,17H2,1-2H3,(H,24,25,26)