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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-imidazol-1-yl-2H-pyrimidin-1-yl)amino]-4-methyl-pentanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-imidazol-1-yl-2H-pyrimidin-1-yl)amino]-4-methyl-pentanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[6-(1-imidazolyl)-2H-pyrimidin-1-yl]amino]-4-methylpentanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-imidazol-1-yl-2H-pyrimidin-1-yl)amino]-4-methylpentanamide Traditional Name: 2-[(6-imidazol-1-yl-2H-pyrimidin-1-yl)amino]-4-methyl-N-piperonyl-valeramide Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1=CC2=C(C=C1)OCO2)NN3CN=CC=C3N4C=CN=C4

Isomeric SMILES

CC(C)CC(C(=O)NCC1=CC2=C(C=C1)OCO2)NN3CN=CC=C3N4C=CN=C4

InChI

InChI=1S/C21H26N6O3/c1-15(2)9-17(25-27-13-22-6-5-20(27)26-8-7-23-12-26)21(28)24-11-16-3-4-18-19(10-16)30-14-29-18/h3-8,10,12,15,17,25H,9,11,13-14H2,1-2H3,(H,24,28)