6-[[6-(tert-butylamino)-7H-purin-2-yl]amino]-3H-2-benzofuran-1-one

Systemtic Name: 6-[[6-(tert-butylamino)-7H-purin-2-yl]amino]-3H-2-benzofuran-1-one Openeye Name: 6-[[6-(tert-butylamino)-7H-purin-2-yl]amino]-3H-isobenzofuran-1-one CAS Name: 6-[[6-(tert-butylamino)-7H-purin-2-yl]amino]-3H-isobenzofuran-1-one IUPAC Name: 6-[[6-(tert-butylamino)-7H-purin-2-yl]amino]-3H-2-benzofuran-1-one Traditional Name: 6-[[6-(tert-butylamino)-7H-purin-2-yl]amino]phthalide Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC(=NC2=C1NC=N2)NC3=CC4=C(COC4=O)C=C3

Isomeric SMILES

CC(C)(C)NC1=NC(=NC2=C1NC=N2)NC3=CC4=C(COC4=O)C=C3

InChI

InChI=1S/C17H18N6O2/c1-17(2,3)23-14-12-13(19-8-18-12)21-16(22-14)20-10-5-4-9-7-25-15(24)11(9)6-10/h4-6,8H,7H2,1-3H3,(H3,18,19,20,21,22,23)