ethanesulfonic acid; 6-nitroquinazoline-2,4-diamine

Systemtic Name: ethanesulfonic acid; 6-nitroquinazoline-2,4-diamine Openeye Name: ethanesulfonic acid; 6-nitroquinazoline-2,4-diamine CAS Name: ethanesulfonic acid; 6-nitroquinazoline-2,4-diamine IUPAC Name: ethanesulfonic acid; 6-nitroquinazoline-2,4-diamine Traditional Name: (2-amino-6-nitro-quinazolin-4-yl)amine; esylic acid Formula: C10H13N5O5S MolecularWeight: 315.30572

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.C1=CC2=C(C=C1[N+](=O)[O-])C(=NC(=N2)N)N

Isomeric SMILES

CCS(=O)(=O)O.C1=CC2=C(C=C1[N+](=O)[O-])C(=NC(=N2)N)N

InChI

InChI=1S/C8H7N5O2.C2H6O3S/c9-7-5-3-4(13(14)15)1-2-6(5)11-8(10)12-7;1-2-6(3,4)5/h1-3H,(H4,9,10,11,12);2H2,1H3,(H,3,4,5)