4-azanyl-2-[1-oxidanylidene-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)propan-2-yl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[1-oxidanylidene-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)propan-2-yl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[1-methyl-2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[1-oxo-1-(3-oxo-4H-1,4-benzoxazin-6-yl)propan-2-yl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[1-oxo-1-(3-oxo-4H-1,4-benzoxazin-6-yl)propan-2-yl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)-1-methyl-ethyl]thio]pyrimidine-5-carbonitrile Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O3S/c1-8(25-16-19-6-10(5-17)15(18)21-16)14(23)9-2-3-12-11(4-9)20-13(22)7-24-12/h2-4,6,8H,7H2,1H3,(H,20,22)(H2,18,19,21)