3-[[2-(benzimidazol-1-yl)-6-(3-piperazin-1-ylpropylamino)pyrimidin-4-yl]amino]-4-methyl-phenol

Systemtic Name: 3-[[2-(benzimidazol-1-yl)-6-(3-piperazin-1-ylpropylamino)pyrimidin-4-yl]amino]-4-methyl-phenol Openeye Name: 3-[[2-(benzimidazol-1-yl)-6-(3-piperazin-1-ylpropylamino)pyrimidin-4-yl]amino]-4-methyl-phenol CAS Name: 3-[[2-(1-benzimidazolyl)-6-[3-(1-piperazinyl)propylamino]-4-pyrimidinyl]amino]-4-methylphenol IUPAC Name: 3-[[2-(benzimidazol-1-yl)-6-(3-piperazin-1-ylpropylamino)pyrimidin-4-yl]amino]-4-methylphenol Traditional Name: 3-[[2-(benzimidazol-1-yl)-6-(3-piperazinopropylamino)pyrimidin-4-yl]amino]-4-methyl-phenol Formula: C25H30N8O MolecularWeight: 458.5587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)O)NC2=CC(=NC(=N2)N3C=NC4=CC=CC=C43)NCCCN5CCNCC5

Isomeric SMILES

CC1=C(C=C(C=C1)O)NC2=CC(=NC(=N2)N3C=NC4=CC=CC=C43)NCCCN5CCNCC5

InChI

InChI=1S/C25H30N8O/c1-18-7-8-19(34)15-21(18)29-24-16-23(27-9-4-12-32-13-10-26-11-14-32)30-25(31-24)33-17-28-20-5-2-3-6-22(20)33/h2-3,5-8,15-17,26,34H,4,9-14H2,1H3,(H2,27,29,30,31)