5-[(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C20H17N5OS MolecularWeight: 375.44688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=C(C(=NN3C4=CC=CC=C4)C)C#N)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=C(C(=NN3C4=CC=CC=C4)C)C#N)C

InChI

InChI=1S/C20H17N5OS/c1-12-14(3)27-19-18(12)20(26)24(11-22-19)10-17-16(9-21)13(2)23-25(17)15-7-5-4-6-8-15/h4-8,11H,10H2,1-3H3