2-[4-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazino]-5-nitro-benzonitrile Formula: C20H20N6O3S MolecularWeight: 424.4762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C20H20N6O3S/c1-12-13(2)30-20-18(12)19(27)22-17(23-20)11-24-5-7-25(8-6-24)16-4-3-15(26(28)29)9-14(16)10-21/h3-4,9H,5-8,11H2,1-2H3,(H,22,23,27)