N7-(3-ethynylphenyl)-N2-[4-(morpholin-4-ylmethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine

Systemtic Name: N7-(3-ethynylphenyl)-N2-[4-(morpholin-4-ylmethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine Openeye Name: N7-(3-ethynylphenyl)-N2-[4-(morpholinomethyl)phenyl]thiazolo[4,5-d]pyrimidine-2,7-diamine CAS Name: N7-(3-ethynylphenyl)-N2-[4-(4-morpholinylmethyl)phenyl]thiazolo[4,5-d]pyrimidine-2,7-diamine IUPAC Name: 7-N-(3-ethynylphenyl)-2-N-[4-(morpholin-4-ylmethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine Traditional Name: [7-(3-ethynylanilino)thiazolo[4,5-d]pyrimidin-2-yl]-[4-(morpholinomethyl)phenyl]amine Formula: C24H22N6OS MolecularWeight: 442.53608

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2SC(=N3)NC4=CC=C(C=C4)CN5CCOCC5

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2SC(=N3)NC4=CC=C(C=C4)CN5CCOCC5

InChI

InChI=1S/C24H22N6OS/c1-2-17-4-3-5-20(14-17)27-22-21-23(26-16-25-22)29-24(32-21)28-19-8-6-18(7-9-19)15-30-10-12-31-13-11-30/h1,3-9,14,16H,10-13,15H2,(H2,25,26,27,28,29)