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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O3S/c14-10-4-11(15)18-13(17-10)22-5-12(19)16-7-1-2-8-9(3-7)21-6-20-8/h1-4H,5-6H2,(H,16,19)(H4,14,15,17,18)