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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-5-pyrimidinyl]-[4-(2-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methylpyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [4-(2-methoxyphenyl)piperazino]-[4-methyl-2-(piperonylamino)pyrimidin-5-yl]methanone Formula: C25H27N5O4 MolecularWeight: 461.51298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)N2CCN(CC2)C3=CC=CC=C3OC)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC(=NC=C1C(=O)N2CCN(CC2)C3=CC=CC=C3OC)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27N5O4/c1-17-19(15-27-25(28-17)26-14-18-7-8-22-23(13-18)34-16-33-22)24(31)30-11-9-29(10-12-30)20-5-3-4-6-21(20)32-2/h3-8,13,15H,9-12,14,16H2,1-2H3,(H,26,27,28)