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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-ethyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]-N-ethylacetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylacetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-ethyl-N-piperonyl-acetamide Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C16H19N5O3S/c1-2-21(7-10-3-4-11-12(5-10)24-9-23-11)15(22)8-25-16-19-13(17)6-14(18)20-16/h3-6H,2,7-9H2,1H3,(H4,17,18,19,20)