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

Systemtic Name: 4-azanyl-N-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-amino-N-[[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methyleneamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-amino-N-[[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]methylideneamino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-amino-N-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-amino-N-[[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methyleneamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)C3=C(C4=C(N=CN=C4S3)N)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)C3=C(C4=C(N=CN=C4S3)N)C)C

InChI

InChI=1S/C22H22N6OS/c1-12-5-7-17(8-6-12)28-13(2)9-16(15(28)4)10-26-27-21(29)19-14(3)18-20(23)24-11-25-22(18)30-19/h5-11H,1-4H3,(H,27,29)(H2,23,24,25)