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

Systemtic Name: N4-(1H-indazol-5-yl)-N2-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine Openeye Name: N4-(1H-indazol-5-yl)-N2-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine CAS Name: N4-(1H-indazol-5-yl)-N2-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine IUPAC Name: 4-N-(1H-indazol-5-yl)-2-N-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine Traditional Name: 1H-indazol-5-yl-[2-(p-anisylamino)thieno[3,2-d]pyrimidin-4-yl]amine Formula: C21H18N6OS MolecularWeight: 402.47222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC3=C(C(=N2)NC4=CC5=C(C=C4)NN=C5)SC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC3=C(C(=N2)NC4=CC5=C(C=C4)NN=C5)SC=C3

InChI

InChI=1S/C21H18N6OS/c1-28-16-5-2-13(3-6-16)11-22-21-25-18-8-9-29-19(18)20(26-21)24-15-4-7-17-14(10-15)12-23-27-17/h2-10,12H,11H2,1H3,(H,23,27)(H2,22,24,25,26)