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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC2=NC3=C(C(=N2)NC4=CC5=C(C=C4)NN=C5)SC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CNC2=NC3=C(C(=N2)NC4=CC5=C(C=C4)NN=C5)SC=C3

InChI

InChI=1S/C21H18N6S/c1-13-3-2-4-14(9-13)11-22-21-25-18-7-8-28-19(18)20(26-21)24-16-5-6-17-15(10-16)12-23-27-17/h2-10,12H,11H2,1H3,(H,23,27)(H2,22,24,25,26)