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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxyphenyl)-4-methyl-pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxyphenyl)-4-methyl-pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxyphenyl)-4-methyl-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxyphenyl)-4-methylpyrimidine-5-carboxamide Traditional Name: N-(3-methoxyphenyl)-4-methyl-2-(piperonylamino)pyrimidine-5-carboxamide Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4/c1-13-17(20(26)25-15-4-3-5-16(9-15)27-2)11-23-21(24-13)22-10-14-6-7-18-19(8-14)29-12-28-18/h3-9,11H,10,12H2,1-2H3,(H,25,26)(H,22,23,24)