N-(1,3-benzodioxol-5-yl)-6-(4-methylpiperazin-1-yl)-2-phenyl-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6-(4-methylpiperazin-1-yl)-2-phenyl-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-6-(4-methylpiperazin-1-yl)-2-phenyl-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-6-(4-methyl-1-piperazinyl)-2-phenyl-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[6-(4-methylpiperazino)-2-phenyl-pyrimidin-4-yl]amine Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=NC(=N2)C3=CC=CC=C3)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1CCN(CC1)C2=CC(=NC(=N2)C3=CC=CC=C3)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N5O2/c1-26-9-11-27(12-10-26)21-14-20(24-22(25-21)16-5-3-2-4-6-16)23-17-7-8-18-19(13-17)29-15-28-18/h2-8,13-14H,9-12,15H2,1H3,(H,23,24,25)