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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methylamino]-4-methyl-pyrimidine-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methylamino]-4-methyl-pyrimidine-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methylamino]-4-methyl-5-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide Traditional Name: 2-(m-anisylamino)-4-methyl-N-piperonyl-pyrimidine-5-carboxamide Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O4/c1-14-18(21(27)23-10-16-6-7-19-20(9-16)30-13-29-19)12-25-22(26-14)24-11-15-4-3-5-17(8-15)28-2/h3-9,12H,10-11,13H2,1-2H3,(H,23,27)(H,24,25,26)