2-[3-[4-[2,4-bis(oxidanylidene)-3-propan-2-yl-1H-pyrimidin-6-yl]piperazin-1-yl]propoxy]benzenecarbonitrile

Systemtic Name: 2-[3-[4-[2,4-bis(oxidanylidene)-3-propan-2-yl-1H-pyrimidin-6-yl]piperazin-1-yl]propoxy]benzenecarbonitrile Openeye Name: 2-[3-[4-(3-isopropyl-2,4-dioxo-1H-pyrimidin-6-yl)piperazin-1-yl]propoxy]benzonitrile CAS Name: 2-[3-[4-(2,4-dioxo-3-propan-2-yl-1H-pyrimidin-6-yl)-1-piperazinyl]propoxy]benzonitrile IUPAC Name: 2-[3-[4-(2,4-dioxo-3-propan-2-yl-1H-pyrimidin-6-yl)piperazin-1-yl]propoxy]benzonitrile Traditional Name: 2-[3-[4-(3-isopropyl-2,4-diketo-1H-pyrimidin-6-yl)piperazino]propoxy]benzonitrile Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C=C(NC1=O)N2CCN(CC2)CCCOC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)N1C(=O)C=C(NC1=O)N2CCN(CC2)CCCOC3=CC=CC=C3C#N

InChI

InChI=1S/C21H27N5O3/c1-16(2)26-20(27)14-19(23-21(26)28)25-11-9-24(10-12-25)8-5-13-29-18-7-4-3-6-17(18)15-22/h3-4,6-7,14,16H,5,8-13H2,1-2H3,(H,23,28)