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

Systemtic Name: (2R)-2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)propanamide Openeye Name: (2R)-2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)propanamide CAS Name: (2R)-2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-N-(1,3-benzodioxol-5-ylmethyl)propanamide IUPAC Name: (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)propanamide Traditional Name: (2R)-2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-N-piperonyl-propionamide Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

CC1=CC(=NC(=N1)S[C@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C16H18N4O3S/c1-9-5-14(17)20-16(19-9)24-10(2)15(21)18-7-11-3-4-12-13(6-11)23-8-22-12/h3-6,10H,7-8H2,1-2H3,(H,18,21)(H2,17,19,20)/t10-/m1/s1