1-[4-[6-azanyl-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-cyclopentyl-ethanone

Systemtic Name: 1-[4-[6-azanyl-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-cyclopentyl-ethanone Openeye Name: 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-cyclopentyl-ethanone CAS Name: 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-4-pyrimidinyl]-1-piperazinyl]-2-cyclopentylethanone IUPAC Name: 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-cyclopentylethanone Traditional Name: 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]benzyl]amino]pyrimidin-4-yl]piperazino]-2-cyclopentyl-ethanone Formula: C32H50N8O MolecularWeight: 562.7924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCCCNCC2=CC=C(C=C2)CNC3=NC(=CC(=N3)N)N4CCN(CC4)C(=O)CC5CCCC5

Isomeric SMILES

C1CCC(CC1)NCCCNCC2=CC=C(C=C2)CNC3=NC(=CC(=N3)N)N4CCN(CC4)C(=O)CC5CCCC5

InChI

InChI=1S/C32H50N8O/c33-29-22-30(39-17-19-40(20-18-39)31(41)21-25-7-4-5-8-25)38-32(37-29)36-24-27-13-11-26(12-14-27)23-34-15-6-16-35-28-9-2-1-3-10-28/h11-14,22,25,28,34-35H,1-10,15-21,23-24H2,(H3,33,36,37,38)