2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyrimidine-5-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-[2-(3-methyl-2-thienyl)ethyl]pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-[2-(3-methyl-2-thiophenyl)ethyl]-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyrimidine-5-carboxamide Traditional Name: 4-methyl-N-[2-(3-methyl-2-thienyl)ethyl]-2-(piperonylamino)pyrimidine-5-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CCNC(=O)C2=CN=C(N=C2C)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC=C1)CCNC(=O)C2=CN=C(N=C2C)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N4O3S/c1-13-6-8-29-19(13)5-7-22-20(26)16-11-24-21(25-14(16)2)23-10-15-3-4-17-18(9-15)28-12-27-17/h3-4,6,8-9,11H,5,7,10,12H2,1-2H3,(H,22,26)(H,23,24,25)