6-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C14H13N5O3S/c15-11-4-12(16)19-14(18-11)23-6-9(20)7-1-2-10-8(3-7)17-13(21)5-22-10/h1-4H,5-6H2,(H,17,21)(H4,15,16,18,19)