6-ethyl-5-(4-nitrophenyl)pyrimidine-2,4-diamine hydrate

Systemtic Name: 6-ethyl-5-(4-nitrophenyl)pyrimidine-2,4-diamine hydrate Openeye Name: 6-ethyl-5-(4-nitrophenyl)pyrimidine-2,4-diamine hydrate CAS Name: 6-ethyl-5-(4-nitrophenyl)pyrimidine-2,4-diamine hydrate IUPAC Name: 6-ethyl-5-(4-nitrophenyl)pyrimidine-2,4-diamine hydrate Traditional Name: [2-amino-6-ethyl-5-(4-nitrophenyl)pyrimidin-4-yl]amine hydrate Formula: C12H15N5O3 MolecularWeight: 277.2792

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)[N+](=O)[O-].O

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)[N+](=O)[O-].O

InChI

InChI=1S/C12H13N5O2.H2O/c1-2-9-10(11(13)16-12(14)15-9)7-3-5-8(6-4-7)17(18)19;/h3-6H,2H2,1H3,(H4,13,14,15,16);1H2