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

Systemtic Name: (E)-2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]carbonyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carbonyl)-3-(4-isobutoxy-3-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-[(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-oxomethyl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enenitrile Traditional Name: (E)-2-(4-amino-2,6-diketo-1,3-dimethyl-pyrimidine-5-carbonyl)-3-(4-isobutoxy-3-methoxy-phenyl)acrylonitrile Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C=C(C#N)C(=O)C2=C(N(C(=O)N(C2=O)C)C)N)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)C2=C(N(C(=O)N(C2=O)C)C)N)OC

InChI

InChI=1S/C21H24N4O5/c1-12(2)11-30-15-7-6-13(9-16(15)29-5)8-14(10-22)18(26)17-19(23)24(3)21(28)25(4)20(17)27/h6-9,12H,11,23H2,1-5H3/b14-8+