5-(4-nitrophenyl)sulfanylquinazoline-2,4-diamine

Systemtic Name: 5-(4-nitrophenyl)sulfanylquinazoline-2,4-diamine Openeye Name: 5-(4-nitrophenyl)sulfanylquinazoline-2,4-diamine CAS Name: 5-[(4-nitrophenyl)thio]quinazoline-2,4-diamine IUPAC Name: 5-(4-nitrophenyl)sulfanylquinazoline-2,4-diamine Traditional Name: [2-amino-5-[(4-nitrophenyl)thio]quinazolin-4-yl]amine Formula: C14H11N5O2S MolecularWeight: 313.33444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=CC=C(C=C3)[N+](=O)[O-])C(=NC(=N2)N)N

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=CC=C(C=C3)[N+](=O)[O-])C(=NC(=N2)N)N

InChI

InChI=1S/C14H11N5O2S/c15-13-12-10(17-14(16)18-13)2-1-3-11(12)22-9-6-4-8(5-7-9)19(20)21/h1-7H,(H4,15,16,17,18)