propyl 3-[[2-(1,3-benzothiazol-6-ylamino)-8-ethyl-7H-purin-6-yl]amino]butanoate

Systemtic Name: propyl 3-[[2-(1,3-benzothiazol-6-ylamino)-8-ethyl-7H-purin-6-yl]amino]butanoate Openeye Name: propyl 3-[[2-(1,3-benzothiazol-6-ylamino)-8-ethyl-7H-purin-6-yl]amino]butanoate CAS Name: 3-[[2-(1,3-benzothiazol-6-ylamino)-8-ethyl-7H-purin-6-yl]amino]butanoic acid propyl ester IUPAC Name: propyl 3-[[2-(1,3-benzothiazol-6-ylamino)-8-ethyl-7H-purin-6-yl]amino]butanoate Traditional Name: 3-[[2-(1,3-benzothiazol-6-ylamino)-8-ethyl-7H-purin-6-yl]amino]butyric acid propyl ester Formula: C21H25N7O2S MolecularWeight: 439.5339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CC(C)NC1=NC(=NC2=C1NC(=N2)CC)NC3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCCOC(=O)CC(C)NC1=NC(=NC2=C1NC(=N2)CC)NC3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C21H25N7O2S/c1-4-8-30-17(29)9-12(3)23-19-18-20(26-16(5-2)25-18)28-21(27-19)24-13-6-7-14-15(10-13)31-11-22-14/h6-7,10-12H,4-5,8-9H2,1-3H3,(H3,23,24,25,26,27,28)