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

Systemtic Name: 1,5-dimethyl-4-[(Z)-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]pyrrole-2-carbonitrile Openeye Name: 1,5-dimethyl-4-[(Z)-(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]pyrrole-2-carbonitrile CAS Name: 1,5-dimethyl-4-[(Z)-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)iminomethyl]-2-pyrrolecarbonitrile IUPAC Name: 1,5-dimethyl-4-[(Z)-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)iminomethyl]pyrrole-2-carbonitrile Traditional Name: 4-[(Z)-(4-keto-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]-1,5-dimethyl-pyrrole-2-carbonitrile Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=NN2C=NC3=C(C2=O)C(=C(S3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=N\N2C=NC3=C(C2=O)C(=C(S3)C)C4=CC=CC=C4

InChI

InChI=1S/C21H17N5OS/c1-13-16(9-17(10-22)25(13)3)11-24-26-12-23-20-19(21(26)27)18(14(2)28-20)15-7-5-4-6-8-15/h4-9,11-12H,1-3H3/b24-11-