(E)-N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(4-imidazol-1-ylphenyl)-N-methyl-prop-2-enamide

Systemtic Name: (E)-N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(4-imidazol-1-ylphenyl)-N-methyl-prop-2-enamide Openeye Name: (E)-N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-(4-imidazol-1-ylphenyl)-N-methyl-prop-2-enamide CAS Name: (E)-N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-[4-(1-imidazolyl)phenyl]-N-methyl-2-propenamide IUPAC Name: (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-imidazol-1-ylphenyl)-N-methylprop-2-enamide Traditional Name: (E)-N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-(4-imidazol-1-ylphenyl)-N-methyl-acrylamide Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C=CC2=CC=C(C=C2)N3C=CN=C3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)/C=C/C2=CC=C(C=C2)N3C=CN=C3)N

InChI

InChI=1S/C21H24N6O3/c1-3-4-12-27-19(22)18(20(29)24-21(27)30)25(2)17(28)10-7-15-5-8-16(9-6-15)26-13-11-23-14-26/h5-11,13-14H,3-4,12,22H2,1-2H3,(H,24,29,30)/b10-7+