N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]propanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]propanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]propanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]amino]propanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)amino]propanamide Traditional Name: N-homopiperonyl-3-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]propionamide Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O3/c1-14-10-18(25-20(24-14)26-9-8-21-12-26)22-7-5-19(27)23-6-4-15-2-3-16-17(11-15)29-13-28-16/h2-3,8-12H,4-7,13H2,1H3,(H,23,27)(H,22,24,25)