7-azanyl-6-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 7-azanyl-6-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-4H-1,4-benzoxazin-3-one Openeye Name: 7-amino-6-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-4H-1,4-benzoxazin-3-one CAS Name: 7-amino-6-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-4H-1,4-benzoxazin-3-one IUPAC Name: 7-amino-6-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-4H-1,4-benzoxazin-3-one Traditional Name: 7-amino-6-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-4H-1,4-benzoxazin-3-one Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC2=C(C=C3C(=C2)NC(=O)CO3)N

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC2=C(C=C3C(=C2)NC(=O)CO3)N

InChI

InChI=1S/C13H12N4O3S/c1-6-2-11(18)17-13(15-6)21-10-4-8-9(3-7(10)14)20-5-12(19)16-8/h2-4H,5,14H2,1H3,(H,16,19)(H,15,17,18)