1-(1,3-benzodioxol-5-yl)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(4,6-diamino-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[(4,6-diaminopyrimidin-2-yl)thio]ethanone Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C13H12N4O3S/c14-11-4-12(15)17-13(16-11)21-5-8(18)7-1-2-9-10(3-7)20-6-19-9/h1-4H,5-6H2,(H4,14,15,16,17)