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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]amino]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)amino]propanamide Traditional Name: 3-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-N-piperonyl-propionamide Formula: C19H20N6O3 MolecularWeight: 380.4005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)NCCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)NCCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20N6O3/c1-13-8-17(24-19(23-13)25-7-6-20-11-25)21-5-4-18(26)22-10-14-2-3-15-16(9-14)28-12-27-15/h2-3,6-9,11H,4-5,10,12H2,1H3,(H,22,26)(H,21,23,24)