N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(4-methyl-1-piperazinyl)-5-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide Traditional Name: 4-methyl-2-(4-methylpiperazino)-N-piperonyl-pyrimidine-5-carboxamide Formula: C19H23N5O3 MolecularWeight: 369.41762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NCC2=CC3=C(C=C2)OCO3)N4CCN(CC4)C

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NCC2=CC3=C(C=C2)OCO3)N4CCN(CC4)C

InChI

InChI=1S/C19H23N5O3/c1-13-15(11-21-19(22-13)24-7-5-23(2)6-8-24)18(25)20-10-14-3-4-16-17(9-14)27-12-26-16/h3-4,9,11H,5-8,10,12H2,1-2H3,(H,20,25)