4-[[7-[(3-ethynylphenyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]amino]-N,N-bis(2-methoxyethyl)benzenesulfonamide

Systemtic Name: 4-[[7-[(3-ethynylphenyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]amino]-N,N-bis(2-methoxyethyl)benzenesulfonamide Openeye Name: 4-[[7-(3-ethynylanilino)thiazolo[4,5-d]pyrimidin-2-yl]amino]-N,N-bis(2-methoxyethyl)benzenesulfonamide CAS Name: 4-[[7-(3-ethynylanilino)-2-thiazolo[4,5-d]pyrimidinyl]amino]-N,N-bis(2-methoxyethyl)benzenesulfonamide IUPAC Name: 4-[[7-(3-ethynylanilino)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]amino]-N,N-bis(2-methoxyethyl)benzenesulfonamide Traditional Name: 4-[[7-(3-ethynylanilino)thiazolo[4,5-d]pyrimidin-2-yl]amino]-N,N-bis(2-methoxyethyl)benzenesulfonamide Formula: C25H26N6O4S2 MolecularWeight: 538.64174

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC3=C(S2)C(=NC=N3)NC4=CC=CC(=C4)C#C

Isomeric SMILES

COCCN(CCOC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC3=C(S2)C(=NC=N3)NC4=CC=CC(=C4)C#C

InChI

InChI=1S/C25H26N6O4S2/c1-4-18-6-5-7-20(16-18)28-23-22-24(27-17-26-23)30-25(36-22)29-19-8-10-21(11-9-19)37(32,33)31(12-14-34-2)13-15-35-3/h1,5-11,16-17H,12-15H2,2-3H3,(H2,26,27,28,29,30)