5-(3,4-dimethoxyphenyl)sulfanylquinazoline-2,4-diamine

Systemtic Name: 5-(3,4-dimethoxyphenyl)sulfanylquinazoline-2,4-diamine Openeye Name: 5-(3,4-dimethoxyphenyl)sulfanylquinazoline-2,4-diamine CAS Name: 5-[(3,4-dimethoxyphenyl)thio]quinazoline-2,4-diamine IUPAC Name: 5-(3,4-dimethoxyphenyl)sulfanylquinazoline-2,4-diamine Traditional Name: [2-amino-5-[(3,4-dimethoxyphenyl)thio]quinazolin-4-yl]amine Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SC2=CC=CC3=C2C(=NC(=N3)N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SC2=CC=CC3=C2C(=NC(=N3)N)N)OC

InChI

InChI=1S/C16H16N4O2S/c1-21-11-7-6-9(8-12(11)22-2)23-13-5-3-4-10-14(13)15(17)20-16(18)19-10/h3-8H,1-2H3,(H4,17,18,19,20)