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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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