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

Systemtic Name: ethyl 4-azanyl-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(4-benzylpiperazin-1-yl)pyrimidine-5-carboxylate CAS Name: 4-amino-2-[4-(phenylmethyl)-1-piperazinyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(4-benzylpiperazin-1-yl)pyrimidine-5-carboxylate Traditional Name: 4-amino-2-(4-benzylpiperazino)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O2/c1-2-25-17(24)15-12-20-18(21-16(15)19)23-10-8-22(9-11-23)13-14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3,(H2,19,20,21)