4-azanyl-N-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylideneamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 4-azanyl-N-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylideneamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-amino-N-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methyleneamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-amino-N-[(2,5-dimethyl-1-phenyl-3-pyrrolyl)methylideneamino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-amino-N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-amino-N-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methyleneamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C=NNC(=O)C3=C(C4=C(N=CN=C4S3)N)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C=NNC(=O)C3=C(C4=C(N=CN=C4S3)N)C

InChI

InChI=1S/C21H20N6OS/c1-12-9-15(14(3)27(12)16-7-5-4-6-8-16)10-25-26-20(28)18-13(2)17-19(22)23-11-24-21(17)29-18/h4-11H,1-3H3,(H,26,28)(H2,22,23,24)