4-[2-(cyclohexylamino)pyrimidin-4-yl]-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2-oxazol-3-amine

Systemtic Name: 4-[2-(cyclohexylamino)pyrimidin-4-yl]-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2-oxazol-3-amine Openeye Name: 4-[2-(cyclohexylamino)pyrimidin-4-yl]-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]isoxazol-3-amine CAS Name: 4-[2-(cyclohexylamino)-4-pyrimidinyl]-5-methyl-N-[3-(4-methyl-1-piperazinyl)propyl]-3-isoxazolamine IUPAC Name: 4-[2-(cyclohexylamino)pyrimidin-4-yl]-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2-oxazol-3-amine Traditional Name: cyclohexyl-[4-[5-methyl-3-[3-(4-methylpiperazino)propylamino]isoxazol-4-yl]pyrimidin-2-yl]amine Formula: C22H35N7O MolecularWeight: 413.5596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)NCCCN2CCN(CC2)C)C3=NC(=NC=C3)NC4CCCCC4

Isomeric SMILES

CC1=C(C(=NO1)NCCCN2CCN(CC2)C)C3=NC(=NC=C3)NC4CCCCC4

InChI

InChI=1S/C22H35N7O/c1-17-20(19-9-11-24-22(26-19)25-18-7-4-3-5-8-18)21(27-30-17)23-10-6-12-29-15-13-28(2)14-16-29/h9,11,18H,3-8,10,12-16H2,1-2H3,(H,23,27)(H,24,25,26)