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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-4-methylsulfanyl-butanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-4-methylsulfanyl-butanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]amino]-4-(methylthio)butanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)amino]-4-methylsulfanylbutanamide Traditional Name: N-homopiperonyl-2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-4-(methylthio)butyramide Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O3S/c1-15-11-20(27-22(25-15)28-9-8-23-13-28)26-17(6-10-32-2)21(29)24-7-5-16-3-4-18-19(12-16)31-14-30-18/h3-4,8-9,11-13,17H,5-7,10,14H2,1-2H3,(H,24,29)(H,25,26,27)