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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-butylsulfanyl-2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]butanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-butylsulfanyl-2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]butanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(butylthio)-2-[[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]amino]butanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-butylsulfanyl-2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)amino]butanamide Traditional Name: 4-(butylthio)-N-homopiperonyl-2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]butyramide Formula: C25H32N6O3S MolecularWeight: 496.62498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCC(C(=O)NCCC1=CC2=C(C=C1)OCO2)NC3=NC(=NC(=C3)C)N4C=CN=C4

Isomeric SMILES

CCCCSCCC(C(=O)NCCC1=CC2=C(C=C1)OCO2)NC3=NC(=NC(=C3)C)N4C=CN=C4

InChI

InChI=1S/C25H32N6O3S/c1-3-4-12-35-13-8-20(29-23-14-18(2)28-25(30-23)31-11-10-26-16-31)24(32)27-9-7-19-5-6-21-22(15-19)34-17-33-21/h5-6,10-11,14-16,20H,3-4,7-9,12-13,17H2,1-2H3,(H,27,32)(H,28,29,30)