3-[2,6-bis(oxidanylidene)-3-(3-oxidanylpropyl)-5-propan-2-yl-pyrimidin-4-yl]carbonyl-5-methyl-benzenecarbonitrile

Systemtic Name: 3-[2,6-bis(oxidanylidene)-3-(3-oxidanylpropyl)-5-propan-2-yl-pyrimidin-4-yl]carbonyl-5-methyl-benzenecarbonitrile Openeye Name: 3-[3-(3-hydroxypropyl)-5-isopropyl-2,6-dioxo-pyrimidine-4-carbonyl]-5-methyl-benzonitrile CAS Name: 3-[[3-(3-hydroxypropyl)-2,6-dioxo-5-propan-2-yl-4-pyrimidinyl]-oxomethyl]-5-methylbenzonitrile IUPAC Name: 3-[3-(3-hydroxypropyl)-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl]-5-methylbenzonitrile Traditional Name: 3-[3-(3-hydroxypropyl)-5-isopropyl-2,6-diketo-pyrimidine-4-carbonyl]-5-methyl-benzonitrile Formula: C19H21N3O4 MolecularWeight: 355.38774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CCCO)C(C)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CCCO)C(C)C)C#N

InChI

InChI=1S/C19H21N3O4/c1-11(2)15-16(22(5-4-6-23)19(26)21-18(15)25)17(24)14-8-12(3)7-13(9-14)10-20/h7-9,11,23H,4-6H2,1-3H3,(H,21,25,26)