2-[3-[2-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]amino]ethyl-(2-hydroxyethyl)amino]propoxy]-5-(phenylcarbonyl)benzenecarbonitrile

Systemtic Name: 2-[3-[2-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]amino]ethyl-(2-hydroxyethyl)amino]propoxy]-5-(phenylcarbonyl)benzenecarbonitrile Openeye Name: 5-benzoyl-2-[3-[2-[(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)amino]ethyl-(2-hydroxyethyl)amino]propoxy]benzonitrile CAS Name: 5-benzoyl-2-[3-[2-[(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)amino]ethyl-(2-hydroxyethyl)amino]propoxy]benzonitrile IUPAC Name: 5-benzoyl-2-[3-[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]ethyl-(2-hydroxyethyl)amino]propoxy]benzonitrile Traditional Name: 5-benzoyl-2-[3-[2-[(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)amino]ethyl-(2-hydroxyethyl)amino]propoxy]benzonitrile Formula: C27H31N5O5 MolecularWeight: 505.56554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)NCCN(CCCOC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)C#N)CCO

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)NCCN(CCCOC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)C#N)CCO

InChI

InChI=1S/C27H31N5O5/c1-30-24(18-25(34)31(2)27(30)36)29-11-13-32(14-15-33)12-6-16-37-23-10-9-21(17-22(23)19-28)26(35)20-7-4-3-5-8-20/h3-5,7-10,17-18,29,33H,6,11-16H2,1-2H3