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

Systemtic Name: ethyl 4-[4-[(2-azanyl-5-nitroso-4-oxidanylidene-1H-pyrimidin-6-yl)amino]butylamino]benzoate Openeye Name: ethyl 4-[4-[(2-amino-5-nitroso-4-oxo-1H-pyrimidin-6-yl)amino]butylamino]benzoate CAS Name: 4-[4-[(2-amino-5-nitroso-4-oxo-1H-pyrimidin-6-yl)amino]butylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-amino-5-nitroso-4-oxo-1H-pyrimidin-6-yl)amino]butylamino]benzoate Traditional Name: 4-[4-[(2-amino-4-keto-5-nitroso-1H-pyrimidin-6-yl)amino]butylamino]benzoic acid ethyl ester Formula: C17H22N6O4 MolecularWeight: 374.39438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCCCCNC2=C(C(=O)N=C(N2)N)N=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCCCCNC2=C(C(=O)N=C(N2)N)N=O

InChI

InChI=1S/C17H22N6O4/c1-2-27-16(25)11-5-7-12(8-6-11)19-9-3-4-10-20-14-13(23-26)15(24)22-17(18)21-14/h5-8,19H,2-4,9-10H2,1H3,(H4,18,20,21,22,24)