5-chloranyl-2-[3-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]piperazin-1-yl]propoxy]benzenecarbonitrile

Systemtic Name: 5-chloranyl-2-[3-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]piperazin-1-yl]propoxy]benzenecarbonitrile Openeye Name: 5-chloro-2-[3-[4-(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)piperazin-1-yl]propoxy]benzonitrile CAS Name: 5-chloro-2-[3-[4-(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-1-piperazinyl]propoxy]benzonitrile IUPAC Name: 5-chloro-2-[3-[4-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]propoxy]benzonitrile Traditional Name: 5-chloro-2-[3-[4-(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)piperazino]propoxy]benzonitrile Formula: C20H24ClN5O3 MolecularWeight: 417.88926

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCOC3=C(C=C(C=C3)Cl)C#N

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCOC3=C(C=C(C=C3)Cl)C#N

InChI

InChI=1S/C20H24ClN5O3/c1-23-18(13-19(27)24(2)20(23)28)26-9-7-25(8-10-26)6-3-11-29-17-5-4-16(21)12-15(17)14-22/h4-5,12-13H,3,6-11H2,1-2H3