4-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C16H18N6O3S MolecularWeight: 374.41752

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C16H18N6O3S/c1-19-15(24)11-7-22(9-4-2-3-5-10(9)25-11)14(23)8-26-16-20-12(17)6-13(18)21-16/h2-6,11H,7-8H2,1H3,(H,19,24)(H4,17,18,20,21)