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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-imidazol-1-ylpyrimidin-4-yl)amino]-4-methyl-pentanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-imidazol-1-ylpyrimidin-4-yl)amino]-4-methyl-pentanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[6-(1-imidazolyl)-4-pyrimidinyl]amino]-4-methylpentanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-imidazol-1-ylpyrimidin-4-yl)amino]-4-methylpentanamide Traditional Name: 2-[(6-imidazol-1-ylpyrimidin-4-yl)amino]-4-methyl-N-piperonyl-valeramide Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1=CC2=C(C=C1)OCO2)NC3=NC=NC(=C3)N4C=CN=C4

Isomeric SMILES

CC(C)CC(C(=O)NCC1=CC2=C(C=C1)OCO2)NC3=NC=NC(=C3)N4C=CN=C4

InChI

InChI=1S/C21H24N6O3/c1-14(2)7-16(26-19-9-20(25-11-24-19)27-6-5-22-12-27)21(28)23-10-15-3-4-17-18(8-15)30-13-29-17/h3-6,8-9,11-12,14,16H,7,10,13H2,1-2H3,(H,23,28)(H,24,25,26)