ethyl 4-[5-[(4-cyanophenyl)methyl]-3-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-[(4-cyanophenyl)methyl]-3-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-[(4-cyanophenyl)methyl]-3-methyl-2,4-dioxo-1H-pyrimidin-6-yl]piperazine-1-carboxylate CAS Name: 4-[5-[(4-cyanophenyl)methyl]-3-methyl-2,4-dioxo-1H-pyrimidin-6-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[(4-cyanophenyl)methyl]-3-methyl-2,4-dioxo-1H-pyrimidin-6-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(4-cyanobenzyl)-2,4-diketo-3-methyl-1H-pyrimidin-6-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=O)N(C(=O)N2)C)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=O)N(C(=O)N2)C)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H23N5O4/c1-3-29-20(28)25-10-8-24(9-11-25)17-16(18(26)23(2)19(27)22-17)12-14-4-6-15(13-21)7-5-14/h4-7H,3,8-12H2,1-2H3,(H,22,27)