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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-(3-morpholinopropyl)pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-[3-(4-morpholinyl)propyl]-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide Traditional Name: 4-methyl-N-(3-morpholinopropyl)-2-(piperonylamino)pyrimidine-5-carboxamide Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NCCCN2CCOCC2)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NCCCN2CCOCC2)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H27N5O4/c1-15-17(20(27)22-5-2-6-26-7-9-28-10-8-26)13-24-21(25-15)23-12-16-3-4-18-19(11-16)30-14-29-18/h3-4,11,13H,2,5-10,12,14H2,1H3,(H,22,27)(H,23,24,25)