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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N6O3S/c1-4-6-13-35-25(5-2,30-22-14-18(3)28-24(29-22)31-12-11-26-16-31)23(32)27-10-9-19-7-8-20-21(15-19)34-17-33-20/h7-8,11-12,14-16H,4-6,9-10,13,17H2,1-3H3,(H,27,32)(H,28,29,30)