2-azanylidene-5-(4-chloranyl-3-nitro-phenyl)-6-ethyl-3-oxidanyl-pyrimidin-4-amine

Systemtic Name: 2-azanylidene-5-(4-chloranyl-3-nitro-phenyl)-6-ethyl-3-oxidanyl-pyrimidin-4-amine Openeye Name: 5-(4-chloro-3-nitro-phenyl)-6-ethyl-3-hydroxy-2-imino-pyrimidin-4-amine CAS Name: 5-(4-chloro-3-nitrophenyl)-6-ethyl-3-hydroxy-2-imino-4-pyrimidinamine IUPAC Name: 5-(4-chloro-3-nitrophenyl)-6-ethyl-3-hydroxy-2-iminopyrimidin-4-amine Traditional Name: [5-(4-chloro-3-nitro-phenyl)-6-ethyl-3-hydroxy-2-imino-pyrimidin-4-yl]amine Formula: C12H12ClN5O3 MolecularWeight: 309.70838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=N)N(C(=C1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])N)O

Isomeric SMILES

CCC1=NC(=N)N(C(=C1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])N)O

InChI

InChI=1S/C12H12ClN5O3/c1-2-8-10(11(14)17(19)12(15)16-8)6-3-4-7(13)9(5-6)18(20)21/h3-5,15,19H,2,14H2,1H3