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2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate; (phenylmethyl)azanium

2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate; (phenylmethyl)azanium

Systemtic Name:2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate; (phenylmethyl)azanium
Openeye Name:benzylammonium; 2,4-dioxo-1H-pyrimidine-6-carboxylate
CAS Name:2,4-dioxo-1H-pyrimidine-6-carboxylate; (phenylmethyl)ammonium
IUPAC Name:benzylazanium; 2,4-dioxo-1H-pyrimidine-6-carboxylate
Traditional Name:benzylammonium; orotate
Formula: C12H13N3O4
MolecularWeight: 263.24932
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH3+].C1=C(NC(=O)NC1=O)C(=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)C[NH3+].C1=C(NC(=O)NC1=O)C(=O)[O-]


InChI

InChI=1S/C7H9N.C5H4N2O4/c8-6-7-4-2-1-3-5-7;8-3-1-2(4(9)10)6-5(11)7-3/h1-5H,6,8H2;1H,(H,9,10)(H2,6,7,8,11)


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