2-(1,3-benzodioxol-5-ylmethylamino)-N-(2-diethylaminoethyl)-4-methyl-pyrimidine-5-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(2-diethylaminoethyl)-4-methyl-pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(2-diethylaminoethyl)-4-methyl-pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(2-diethylaminoethyl)-4-methyl-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(2-diethylaminoethyl)-4-methylpyrimidine-5-carboxamide Traditional Name: N-(2-diethylaminoethyl)-4-methyl-2-(piperonylamino)pyrimidine-5-carboxamide Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CN=C(N=C1C)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CN=C(N=C1C)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H27N5O3/c1-4-25(5-2)9-8-21-19(26)16-12-23-20(24-14(16)3)22-11-15-6-7-17-18(10-15)28-13-27-17/h6-7,10,12H,4-5,8-9,11,13H2,1-3H3,(H,21,26)(H,22,23,24)