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

Systemtic Name: 3-[[2-(1,3-benzothiazol-6-ylamino)-8-ethyl-7H-purin-6-yl]amino]butanamide Openeye Name: 3-[[2-(1,3-benzothiazol-6-ylamino)-8-ethyl-7H-purin-6-yl]amino]butanamide CAS Name: 3-[[2-(1,3-benzothiazol-6-ylamino)-8-ethyl-7H-purin-6-yl]amino]butanamide IUPAC Name: 3-[[2-(1,3-benzothiazol-6-ylamino)-8-ethyl-7H-purin-6-yl]amino]butanamide Traditional Name: 3-[[2-(1,3-benzothiazol-6-ylamino)-8-ethyl-7H-purin-6-yl]amino]butyramide Formula: C18H20N8OS MolecularWeight: 396.4694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C(=NC(=N2)NC3=CC4=C(C=C3)N=CS4)NC(C)CC(=O)N

Isomeric SMILES

CCC1=NC2=C(N1)C(=NC(=N2)NC3=CC4=C(C=C3)N=CS4)NC(C)CC(=O)N

InChI

InChI=1S/C18H20N8OS/c1-3-14-23-15-16(21-9(2)6-13(19)27)25-18(26-17(15)24-14)22-10-4-5-11-12(7-10)28-8-20-11/h4-5,7-9H,3,6H2,1-2H3,(H2,19,27)(H3,21,22,23,24,25,26)