ethyl 4-acetamido-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-acetamido-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-acetamido-2-(4-benzylpiperazin-1-yl)pyrimidine-5-carboxylate CAS Name: 4-acetamido-2-[4-(phenylmethyl)-1-piperazinyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetamido-2-(4-benzylpiperazin-1-yl)pyrimidine-5-carboxylate Traditional Name: 4-acetamido-2-(4-benzylpiperazino)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC(=O)C)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC(=O)C)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O3/c1-3-28-19(27)17-13-21-20(23-18(17)22-15(2)26)25-11-9-24(10-12-25)14-16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3,(H,21,22,23,26)