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

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-ethanamide Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-acetamide CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-N-ethyl-N-piperonyl-acetamide Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O3S/c1-3-21(8-12-4-5-13-14(7-12)24-10-23-13)16(22)9-25-17-19-11(2)6-15(18)20-17/h4-7H,3,8-10H2,1-2H3,(H2,18,19,20)