ethyl 4-[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[(6-amino-1-benzyl-2,4-dioxo-pyrimidine-5-carbonyl)amino]benzoate CAS Name: 4-[[[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-amino-1-benzyl-2,4-dioxopyrimidine-5-carbonyl)amino]benzoate Traditional Name: 4-[(6-amino-1-benzyl-2,4-diketo-pyrimidine-5-carbonyl)amino]benzoic acid ethyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

InChI

InChI=1S/C21H20N4O5/c1-2-30-20(28)14-8-10-15(11-9-14)23-18(26)16-17(22)25(21(29)24-19(16)27)12-13-6-4-3-5-7-13/h3-11H,2,12,22H2,1H3,(H,23,26)(H,24,27,29)