6-[[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl-(3-morpholin-4-ylpropyl)amino]methyl]-3H-1,3-benzothiazol-2-one

Systemtic Name: 6-[[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl-(3-morpholin-4-ylpropyl)amino]methyl]-3H-1,3-benzothiazol-2-one Openeye Name: 6-[[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl-(3-morpholinopropyl)amino]methyl]-3H-1,3-benzothiazol-2-one CAS Name: 6-[[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl-[3-(4-morpholinyl)propyl]amino]methyl]-3H-1,3-benzothiazol-2-one IUPAC Name: 6-[[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl-(3-morpholin-4-ylpropyl)amino]methyl]-3H-1,3-benzothiazol-2-one Traditional Name: 6-[[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propyl-(3-morpholinopropyl)amino]methyl]-3H-1,3-benzothiazol-2-one Formula: C27H38N8O4S MolecularWeight: 570.70682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN(CCCN3CCOCC3)CC4=CC5=C(C=C4)NC(=O)S5

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN(CCCN3CCOCC3)CC4=CC5=C(C=C4)NC(=O)S5

InChI

InChI=1S/C27H38N8O4S/c1-2-3-14-39-25-31-23(28)22-24(32-25)35(26(36)30-22)11-5-10-34(9-4-8-33-12-15-38-16-13-33)18-19-6-7-20-21(17-19)40-27(37)29-20/h6-7,17H,2-5,8-16,18H2,1H3,(H,29,37)(H,30,36)(H2,28,31,32)