2-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethanamide

Systemtic Name: 2-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethanamide Openeye Name: 2-(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide CAS Name: 2-[(4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide IUPAC Name: 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide Traditional Name: 2-[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(3-keto-7-nitro-4H-1,4-benzoxazin-6-yl)acetamide Formula: C18H16N6O5S2 MolecularWeight: 460.48684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)SCC(=O)NC3=C(C=C4C(=C3)NC(=O)CO4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)SCC(=O)NC3=C(C=C4C(=C3)NC(=O)CO4)[N+](=O)[O-])C

InChI

InChI=1S/C18H16N6O5S2/c1-7-8(2)31-17-15(7)16(19)22-18(23-17)30-6-14(26)20-9-3-10-12(4-11(9)24(27)28)29-5-13(25)21-10/h3-4H,5-6H2,1-2H3,(H,20,26)(H,21,25)(H2,19,22,23)