N2-(3,5-dimethylphenyl)-N4-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine

Systemtic Name: N2-(3,5-dimethylphenyl)-N4-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine Openeye Name: N2-(3,5-dimethylphenyl)-N4-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine CAS Name: N2-(3,5-dimethylphenyl)-N4-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine IUPAC Name: 2-N-(3,5-dimethylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine Traditional Name: [2-(3,5-dimethylanilino)thieno[3,2-d]pyrimidin-4-yl]-(1H-indazol-5-yl)amine Formula: C21H18N6S MolecularWeight: 386.47282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC3=C(C(=N2)NC4=CC5=C(C=C4)NN=C5)SC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC3=C(C(=N2)NC4=CC5=C(C=C4)NN=C5)SC=C3)C

InChI

InChI=1S/C21H18N6S/c1-12-7-13(2)9-16(8-12)24-21-25-18-5-6-28-19(18)20(26-21)23-15-3-4-17-14(10-15)11-22-27-17/h3-11H,1-2H3,(H,22,27)(H2,23,24,25,26)