1,3-benzodioxol-5-yl-[4-(4-methyl-6-phenylazanyl-pyrimidin-2-yl)piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(4-methyl-6-phenylazanyl-pyrimidin-2-yl)piperazin-1-yl]methanone Openeye Name: [4-(4-anilino-6-methyl-pyrimidin-2-yl)piperazin-1-yl]-(1,3-benzodioxol-5-yl)methanone CAS Name: [4-(4-anilino-6-methyl-2-pyrimidinyl)-1-piperazinyl]-(1,3-benzodioxol-5-yl)methanone IUPAC Name: [4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-(1,3-benzodioxol-5-yl)methanone Traditional Name: [4-(4-anilino-6-methyl-pyrimidin-2-yl)piperazino]-(1,3-benzodioxol-5-yl)methanone Formula: C23H23N5O3 MolecularWeight: 417.46042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C5

InChI

InChI=1S/C23H23N5O3/c1-16-13-21(25-18-5-3-2-4-6-18)26-23(24-16)28-11-9-27(10-12-28)22(29)17-7-8-19-20(14-17)31-15-30-19/h2-8,13-14H,9-12,15H2,1H3,(H,24,25,26)