ethyl 3-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-propanoate

Systemtic Name: ethyl 3-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-propanoate Openeye Name: ethyl 3-[4-(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)piperazin-1-yl]-2-phenyl-propanoate CAS Name: 3-[4-(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-1-piperazinyl]-2-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]-2-phenylpropanoate Traditional Name: 3-[4-(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)piperazino]-2-phenyl-propionic acid ethyl ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CN1CCN(CC1)C2=CC(=O)N(C(=O)N2C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CN1CCN(CC1)C2=CC(=O)N(C(=O)N2C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O4/c1-4-29-20(27)17(16-8-6-5-7-9-16)15-24-10-12-25(13-11-24)18-14-19(26)23(3)21(28)22(18)2/h5-9,14,17H,4,10-13,15H2,1-3H3