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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-4-methylsulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-4-methylsulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]amino]-4-(methylthio)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)amino]-4-methylsulfanylbutanamide Traditional Name: 2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-4-(methylthio)-N-piperonyl-butyramide Formula: C21H24N6O3S MolecularWeight: 440.51866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O3S/c1-14-9-19(26-21(24-14)27-7-6-22-12-27)25-16(5-8-31-2)20(28)23-11-15-3-4-17-18(10-15)30-13-29-17/h3-4,6-7,9-10,12,16H,5,8,11,13H2,1-2H3,(H,23,28)(H,24,25,26)