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

Systemtic Name: N4-(1H-indazol-5-yl)-N2-[(3-nitrophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine Openeye Name: N4-(1H-indazol-5-yl)-N2-[(3-nitrophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine CAS Name: N4-(1H-indazol-5-yl)-N2-[(3-nitrophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine IUPAC Name: 4-N-(1H-indazol-5-yl)-2-N-[(3-nitrophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine Traditional Name: 1H-indazol-5-yl-[2-[(3-nitrobenzyl)amino]thieno[3,2-d]pyrimidin-4-yl]amine Formula: C20H15N7O2S MolecularWeight: 417.4438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=NC3=C(C(=N2)NC4=CC5=C(C=C4)NN=C5)SC=C3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=NC3=C(C(=N2)NC4=CC5=C(C=C4)NN=C5)SC=C3

InChI

InChI=1S/C20H15N7O2S/c28-27(29)15-3-1-2-12(8-15)10-21-20-24-17-6-7-30-18(17)19(25-20)23-14-4-5-16-13(9-14)11-22-26-16/h1-9,11H,10H2,(H,22,26)(H2,21,23,24,25)