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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-pyridin-3-yl-pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-(3-pyridyl)pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-(3-pyridinyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-pyridin-3-ylpyrimidine-5-carboxamide Traditional Name: 4-methyl-2-(piperonylamino)-N-(3-pyridyl)pyrimidine-5-carboxamide Formula: C19H17N5O3 MolecularWeight: 363.36998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NC2=CN=CC=C2)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NC2=CN=CC=C2)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H17N5O3/c1-12-15(18(25)24-14-3-2-6-20-9-14)10-22-19(23-12)21-8-13-4-5-16-17(7-13)27-11-26-16/h2-7,9-10H,8,11H2,1H3,(H,24,25)(H,21,22,23)