methyl 4-[2,4-bis(azanyl)quinazolin-6-yl]sulfanylbenzoate

Systemtic Name: methyl 4-[2,4-bis(azanyl)quinazolin-6-yl]sulfanylbenzoate Openeye Name: methyl 4-(2,4-diaminoquinazolin-6-yl)sulfanylbenzoate CAS Name: 4-[(2,4-diamino-6-quinazolinyl)thio]benzoic acid methyl ester IUPAC Name: methyl 4-(2,4-diaminoquinazolin-6-yl)sulfanylbenzoate Traditional Name: 4-[(2,4-diaminoquinazolin-6-yl)thio]benzoic acid methyl ester Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O2S/c1-22-15(21)9-2-4-10(5-3-9)23-11-6-7-13-12(8-11)14(17)20-16(18)19-13/h2-8H,1H3,(H4,17,18,19,20)