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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C15H15N5O4S MolecularWeight: 361.3757

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC(=CC(=N3)N)N)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC(=CC(=N3)N)N)OCO2

InChI

InChI=1S/C15H15N5O4S/c1-7(21)8-2-10-11(24-6-23-10)3-9(8)18-14(22)5-25-15-19-12(16)4-13(17)20-15/h2-4H,5-6H2,1H3,(H,18,22)(H4,16,17,19,20)