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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NSCCCC1=CC2=C(C=C1)OCO2)NC3=NC(=NC(=C3)C)N4C=CN=C4

Isomeric SMILES

CCC(C(=O)NSCCCC1=CC2=C(C=C1)OCO2)NC3=NC(=NC(=C3)C)N4C=CN=C4

InChI

InChI=1S/C22H26N6O3S/c1-3-17(25-20-11-15(2)24-22(26-20)28-9-8-23-13-28)21(29)27-32-10-4-5-16-6-7-18-19(12-16)31-14-30-18/h6-9,11-13,17H,3-5,10,14H2,1-2H3,(H,27,29)(H,24,25,26)