4-(2,4-dinitrophenyl)sulfanyl-6-methoxy-pyrimidine-2,5-diamine

Systemtic Name: 4-(2,4-dinitrophenyl)sulfanyl-6-methoxy-pyrimidine-2,5-diamine Openeye Name: 4-(2,4-dinitrophenyl)sulfanyl-6-methoxy-pyrimidine-2,5-diamine CAS Name: 4-[(2,4-dinitrophenyl)thio]-6-methoxypyrimidine-2,5-diamine IUPAC Name: 4-(2,4-dinitrophenyl)sulfanyl-6-methoxypyrimidine-2,5-diamine Traditional Name: [2-amino-4-[(2,4-dinitrophenyl)thio]-6-methoxy-pyrimidin-5-yl]amine Formula: C11H10N6O5S MolecularWeight: 338.2993

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC(=N1)N)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

COC1=C(C(=NC(=N1)N)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])N

InChI

InChI=1S/C11H10N6O5S/c1-22-9-8(12)10(15-11(13)14-9)23-7-3-2-5(16(18)19)4-6(7)17(20)21/h2-4H,12H2,1H3,(H2,13,14,15)