2-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)methyl]amino]ethanamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)methyl]amino]ethanamide Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)methyl]amino]acetamide CAS Name: 2-[[[2-(1,3-benzodioxol-5-yl)ethylamino]-oxomethyl]-[[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]methyl]amino]acetamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]amino]acetamide Traditional Name: 2-[homopiperonylcarbamoyl-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)methyl]amino]acetamide Formula: C21H23N7O4 MolecularWeight: 437.45182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)CN(CC(=O)N)C(=O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)CN(CC(=O)N)C(=O)NCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N7O4/c1-14-8-16(26-20(25-14)27-7-6-23-12-27)10-28(11-19(22)29)21(30)24-5-4-15-2-3-17-18(9-15)32-13-31-17/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H2,22,29)(H,24,30)