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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-butylsulfanyl-2-[(2-imidazol-1-yl-4-methyl-1H-pyrimidin-4-yl)amino]butanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-butylsulfanyl-2-[(2-imidazol-1-yl-4-methyl-1H-pyrimidin-4-yl)amino]butanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(butylthio)-2-[[2-(1-imidazolyl)-4-methyl-1H-pyrimidin-4-yl]amino]butanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-butylsulfanyl-2-[(2-imidazol-1-yl-4-methyl-1H-pyrimidin-4-yl)amino]butanamide Traditional Name: 4-(butylthio)-N-homopiperonyl-2-[(2-imidazol-1-yl-4-methyl-1H-pyrimidin-4-yl)amino]butyramide Formula: C25H34N6O3S MolecularWeight: 498.64086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCC(C(=O)NCCC1=CC2=C(C=C1)OCO2)NC3(C=CNC(=N3)N4C=CN=C4)C

Isomeric SMILES

CCCCSCCC(C(=O)NCCC1=CC2=C(C=C1)OCO2)NC3(C=CNC(=N3)N4C=CN=C4)C

InChI

InChI=1S/C25H34N6O3S/c1-3-4-14-35-15-8-20(29-25(2)9-11-28-24(30-25)31-13-12-26-17-31)23(32)27-10-7-19-5-6-21-22(16-19)34-18-33-21/h5-6,9,11-13,16-17,20,29H,3-4,7-8,10,14-15,18H2,1-2H3,(H,27,32)(H,28,30)