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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)amino]-3-methylsulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)amino]-3-methylsulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]amino]-3-(methylthio)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)amino]-3-methylsulfanylbutanamide Traditional Name: 2-[(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)amino]-3-(methylthio)-N-piperonyl-butyramide Formula: C20H21ClN6O3S MolecularWeight: 460.93714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NCC1=CC2=C(C=C1)OCO2)NC3=CC(=NC(=N3)N4C=CN=C4)Cl)SC

Isomeric SMILES

CC(C(C(=O)NCC1=CC2=C(C=C1)OCO2)NC3=CC(=NC(=N3)N4C=CN=C4)Cl)SC

InChI

InChI=1S/C20H21ClN6O3S/c1-12(31-2)18(19(28)23-9-13-3-4-14-15(7-13)30-11-29-14)25-17-8-16(21)24-20(26-17)27-6-5-22-10-27/h3-8,10,12,18H,9,11H2,1-2H3,(H,23,28)(H,24,25,26)