N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(phenylmethyl)amino]pyrimidine-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(phenylmethyl)amino]pyrimidine-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(benzylamino)-4-methyl-pyrimidine-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(phenylmethyl)amino]-5-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(benzylamino)-4-methylpyrimidine-5-carboxamide Traditional Name: 2-(benzylamino)-4-methyl-N-piperonyl-pyrimidine-5-carboxamide Formula: C21H20N4O3 MolecularWeight: 376.4085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NCC2=CC3=C(C=C2)OCO3)NCC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NCC2=CC3=C(C=C2)OCO3)NCC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3/c1-14-17(12-24-21(25-14)23-10-15-5-3-2-4-6-15)20(26)22-11-16-7-8-18-19(9-16)28-13-27-18/h2-9,12H,10-11,13H2,1H3,(H,22,26)(H,23,24,25)