2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-5-nitro-benzonitrile CAS Name: 2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]-5-nitrobenzonitrile IUPAC Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-5-nitrobenzonitrile Traditional Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-5-nitro-benzonitrile Formula: C15H11N5O2S MolecularWeight: 325.34514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N5O2S/c1-8-9(2)23-15-13(8)14(17-7-18-15)19-12-4-3-11(20(21)22)5-10(12)6-16/h3-5,7H,1-2H3,(H,17,18,19)