4-[[4-azanyl-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4-azanyl-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[4-amino-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[4-amino-6-(cyclohexylmethoxy)-5-nitroso-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[4-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-amino-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]benzoic acid Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=NC(=NC(=C2N=O)N)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCC(CC1)COC2=NC(=NC(=C2N=O)N)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H21N5O4/c19-15-14(23-26)16(27-10-11-4-2-1-3-5-11)22-18(21-15)20-13-8-6-12(7-9-13)17(24)25/h6-9,11H,1-5,10H2,(H,24,25)(H3,19,20,21,22)