(E)-2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]carbonyl-3-(3,5-dimethyl-4-oxidanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]carbonyl-3-(3,5-dimethyl-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carbonyl)-3-(4-hydroxy-3,5-dimethyl-phenyl)prop-2-enenitrile CAS Name: (E)-2-[(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-oxomethyl]-3-(4-hydroxy-3,5-dimethylphenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-amino-2,6-diketo-1,3-dimethyl-pyrimidine-5-carbonyl)-3-(4-hydroxy-3,5-dimethyl-phenyl)acrylonitrile Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C=C(C#N)C(=O)C2=C(N(C(=O)N(C2=O)C)C)N

Isomeric SMILES

CC1=CC(=CC(=C1O)C)/C=C(\C#N)/C(=O)C2=C(N(C(=O)N(C2=O)C)C)N

InChI

InChI=1S/C18H18N4O4/c1-9-5-11(6-10(2)14(9)23)7-12(8-19)15(24)13-16(20)21(3)18(26)22(4)17(13)25/h5-7,23H,20H2,1-4H3/b12-7+