ethyl 4-[3-[(2-azanyl-5-nitroso-4-oxidanylidene-1H-pyrimidin-6-yl)amino]propoxy]benzoate

Systemtic Name: ethyl 4-[3-[(2-azanyl-5-nitroso-4-oxidanylidene-1H-pyrimidin-6-yl)amino]propoxy]benzoate Openeye Name: ethyl 4-[3-[(2-amino-5-nitroso-4-oxo-1H-pyrimidin-6-yl)amino]propoxy]benzoate CAS Name: 4-[3-[(2-amino-5-nitroso-4-oxo-1H-pyrimidin-6-yl)amino]propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(2-amino-5-nitroso-4-oxo-1H-pyrimidin-6-yl)amino]propoxy]benzoate Traditional Name: 4-[3-[(2-amino-4-keto-5-nitroso-1H-pyrimidin-6-yl)amino]propoxy]benzoic acid ethyl ester Formula: C16H19N5O5 MolecularWeight: 361.35256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCCCNC2=C(C(=O)N=C(N2)N)N=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCCCNC2=C(C(=O)N=C(N2)N)N=O

InChI

InChI=1S/C16H19N5O5/c1-2-25-15(23)10-4-6-11(7-5-10)26-9-3-8-18-13-12(21-24)14(22)20-16(17)19-13/h4-7H,2-3,8-9H2,1H3,(H4,17,18,19,20,22)