4-[5-(2-butylpiperazin-1-yl)-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[5-(2-butylpiperazin-1-yl)-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]oxybenzenecarbonitrile Openeye Name: 4-[5-(2-butylpiperazin-1-yl)-1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl]oxybenzonitrile CAS Name: 4-[[5-(2-butyl-1-piperazinyl)-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl]oxy]benzonitrile IUPAC Name: 4-[5-(2-butylpiperazin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-yl]oxybenzonitrile Traditional Name: 4-[5-(2-butylpiperazino)-2,6-diketo-1,3-dimethyl-pyrimidin-4-yl]oxybenzonitrile Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CNCCN1C2=C(N(C(=O)N(C2=O)C)C)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1CNCCN1C2=C(N(C(=O)N(C2=O)C)C)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H27N5O3/c1-4-5-6-16-14-23-11-12-26(16)18-19(27)24(2)21(28)25(3)20(18)29-17-9-7-15(13-22)8-10-17/h7-10,16,23H,4-6,11-12,14H2,1-3H3