4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-2,1-benzoxazol-5-yl]pyrimidin-2-amine

Systemtic Name: 4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-2,1-benzoxazol-5-yl]pyrimidin-2-amine Openeye Name: 4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-2,1-benzoxazol-5-yl]pyrimidin-2-amine CAS Name: 4-[3-[4-(4-methyl-1-piperazinyl)phenyl]-2,1-benzoxazol-5-yl]-2-pyrimidinamine IUPAC Name: 4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-2,1-benzoxazol-5-yl]pyrimidin-2-amine Traditional Name: [4-[3-[4-(4-methylpiperazino)phenyl]anthranil-5-yl]pyrimidin-2-yl]amine Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)C3=C4C=C(C=CC4=NO3)C5=NC(=NC=C5)N

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)C3=C4C=C(C=CC4=NO3)C5=NC(=NC=C5)N

InChI

InChI=1S/C22H22N6O/c1-27-10-12-28(13-11-27)17-5-2-15(3-6-17)21-18-14-16(4-7-20(18)26-29-21)19-8-9-24-22(23)25-19/h2-9,14H,10-13H2,1H3,(H2,23,24,25)