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

Systemtic Name: 4-[4-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazino]-3-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)C#N)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C4=C(C=C(C=C4)C#N)[N+](=O)[O-])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)15-4-3-14(10-21)9-16(15)26(28)29/h3-4,9H,5-8,11H2,1-2H3,(H,22,23,27)