4-[2,4-bis(azanyl)quinazolin-6-yl]sulfanylbenzoic acid

Systemtic Name: 4-[2,4-bis(azanyl)quinazolin-6-yl]sulfanylbenzoic acid Openeye Name: 4-(2,4-diaminoquinazolin-6-yl)sulfanylbenzoic acid CAS Name: 4-[(2,4-diamino-6-quinazolinyl)thio]benzoic acid IUPAC Name: 4-(2,4-diaminoquinazolin-6-yl)sulfanylbenzoic acid Traditional Name: 4-[(2,4-diaminoquinazolin-6-yl)thio]benzoic acid Formula: C15H12N4O2S MolecularWeight: 312.34638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SC2=CC3=C(C=C2)N=C(N=C3N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SC2=CC3=C(C=C2)N=C(N=C3N)N

InChI

InChI=1S/C15H12N4O2S/c16-13-11-7-10(5-6-12(11)18-15(17)19-13)22-9-3-1-8(2-4-9)14(20)21/h1-7H,(H,20,21)(H4,16,17,18,19)