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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidin-5-yl]-(4-propylpiperazin-1-yl)methanone Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidin-5-yl]-(4-propylpiperazin-1-yl)methanone CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-5-pyrimidinyl]-(4-propyl-1-piperazinyl)methanone IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methylpyrimidin-5-yl]-(4-propylpiperazin-1-yl)methanone Traditional Name: [4-methyl-2-(piperonylamino)pyrimidin-5-yl]-(4-propylpiperazino)methanone Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)C2=CN=C(N=C2C)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCN1CCN(CC1)C(=O)C2=CN=C(N=C2C)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H27N5O3/c1-3-6-25-7-9-26(10-8-25)20(27)17-13-23-21(24-15(17)2)22-12-16-4-5-18-19(11-16)29-14-28-18/h4-5,11,13H,3,6-10,12,14H2,1-2H3,(H,22,23,24)