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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chloranyl-4-methyl-phenyl)-4-methyl-pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chloro-4-methyl-phenyl)-4-methyl-pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chloro-4-methylphenyl)-4-methyl-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chloro-4-methylphenyl)-4-methylpyrimidine-5-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-methyl-2-(piperonylamino)pyrimidine-5-carboxamide Formula: C21H19ClN4O3 MolecularWeight: 410.85356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CN=C(N=C2C)NCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CN=C(N=C2C)NCC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C21H19ClN4O3/c1-12-3-5-15(8-17(12)22)26-20(27)16-10-24-21(25-13(16)2)23-9-14-4-6-18-19(7-14)29-11-28-18/h3-8,10H,9,11H2,1-2H3,(H,26,27)(H,23,24,25)