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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-piperonyl-acetamide Formula: C14H15N5O3S MolecularWeight: 333.3656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O3S/c15-11-4-12(16)19-14(18-11)23-6-13(20)17-5-8-1-2-9-10(3-8)22-7-21-9/h1-4H,5-7H2,(H,17,20)(H4,15,16,18,19)