ethyl 4-[2-[(2-azanyl-6-oxidanylidene-1H-pyrimidin-5-yl)-ethanoyl-amino]ethylamino]benzoate

Systemtic Name: ethyl 4-[2-[(2-azanyl-6-oxidanylidene-1H-pyrimidin-5-yl)-ethanoyl-amino]ethylamino]benzoate Openeye Name: ethyl 4-[2-[acetyl-(2-amino-6-oxo-1H-pyrimidin-5-yl)amino]ethylamino]benzoate CAS Name: 4-[2-[acetyl-(2-amino-6-oxo-1H-pyrimidin-5-yl)amino]ethylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[acetyl-(2-amino-6-oxo-1H-pyrimidin-5-yl)amino]ethylamino]benzoate Traditional Name: 4-[2-[acetyl-(2-amino-6-keto-1H-pyrimidin-5-yl)amino]ethylamino]benzoic acid ethyl ester Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCCN(C2=CN=C(NC2=O)N)C(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCCN(C2=CN=C(NC2=O)N)C(=O)C

InChI

InChI=1S/C17H21N5O4/c1-3-26-16(25)12-4-6-13(7-5-12)19-8-9-22(11(2)23)14-10-20-17(18)21-15(14)24/h4-7,10,19H,3,8-9H2,1-2H3,(H3,18,20,21,24)