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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-(2-morpholinoethyl)pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-[2-(4-morpholinyl)ethyl]-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide Traditional Name: 4-methyl-N-(2-morpholinoethyl)-2-(piperonylamino)pyrimidine-5-carboxamide Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NCCN2CCOCC2)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NCCN2CCOCC2)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H25N5O4/c1-14-16(19(26)21-4-5-25-6-8-27-9-7-25)12-23-20(24-14)22-11-15-2-3-17-18(10-15)29-13-28-17/h2-3,10,12H,4-9,11,13H2,1H3,(H,21,26)(H,22,23,24)