ethyl 4-[4-[(4-cyanophenyl)carbamoyl]-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-[(4-cyanophenyl)carbamoyl]-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[(4-cyanophenyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(4-cyanoanilino)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-cyanophenyl)carbamoyl]-3-methylpiperazine-1-carbonyl]-2-methyl-6-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-[(4-cyanophenyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C28H28N6O4 MolecularWeight: 512.55972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)C(=O)NC3=CC=C(C=C3)C#N)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)C(=O)NC3=CC=C(C=C3)C#N)C)C4=CC=CC=C4

InChI

InChI=1S/C28H28N6O4/c1-4-38-27(36)23-24(21-8-6-5-7-9-21)30-19(3)31-25(23)26(35)33-14-15-34(18(2)17-33)28(37)32-22-12-10-20(16-29)11-13-22/h5-13,18H,4,14-15,17H2,1-3H3,(H,32,37)