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

Systemtic Name: 4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine Openeye Name: 4-(3-methyl-5-phenyl-isoxazol-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine CAS Name: 4-(3-methyl-5-phenyl-4-isoxazolyl)-N-[3-(4-methyl-1-piperazinyl)propyl]-2-pyrimidinamine IUPAC Name: 4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine Traditional Name: [4-(3-methyl-5-phenyl-isoxazol-4-yl)pyrimidin-2-yl]-[3-(4-methylpiperazino)propyl]amine Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C2=NC(=NC=C2)NCCCN3CCN(CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NOC(=C1C2=NC(=NC=C2)NCCCN3CCN(CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C22H28N6O/c1-17-20(21(29-26-17)18-7-4-3-5-8-18)19-9-11-24-22(25-19)23-10-6-12-28-15-13-27(2)14-16-28/h3-5,7-9,11H,6,10,12-16H2,1-2H3,(H,23,24,25)