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

Systemtic Name: 6-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(4,6-diaminopyrimidin-2-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C15H15N5O3S MolecularWeight: 345.3763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC(=CC(=N3)N)N

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C15H15N5O3S/c1-7(24-15-19-11(16)5-12(17)20-15)14(22)8-2-3-10-9(4-8)18-13(21)6-23-10/h2-5,7H,6H2,1H3,(H,18,21)(H4,16,17,19,20)