2-azanylpyrimidine-5-carboxylic acid; 1,4-bis(phenylmethyl)piperazine-2,3-dione

Systemtic Name: 2-azanylpyrimidine-5-carboxylic acid; 1,4-bis(phenylmethyl)piperazine-2,3-dione Openeye Name: 2-aminopyrimidine-5-carboxylic acid; 1,4-dibenzylpiperazine-2,3-dione CAS Name: 2-amino-5-pyrimidinecarboxylic acid; 1,4-bis(phenylmethyl)piperazine-2,3-dione IUPAC Name: 2-aminopyrimidine-5-carboxylic acid; 1,4-dibenzylpiperazine-2,3-dione Traditional Name: 2-aminopyrimidine-5-carboxylic acid; 1,4-dibenzylpiperazine-2,3-quinone Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3.C1=C(C=NC(=N1)N)C(=O)O

Isomeric SMILES

C1CN(C(=O)C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3.C1=C(C=NC(=N1)N)C(=O)O

InChI

InChI=1S/C18H18N2O2.C5H5N3O2/c21-17-18(22)20(14-16-9-5-2-6-10-16)12-11-19(17)13-15-7-3-1-4-8-15;6-5-7-1-3(2-8-5)4(9)10/h1-10H,11-14H2;1-2H,(H,9,10)(H2,6,7,8)