3,7-dimethyl-1-[3-(3-oxidanylidene-1,2-benzoxazol-2-yl)propyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-(3-oxidanylidene-1,2-benzoxazol-2-yl)propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-(3-oxo-1,2-benzoxazol-2-yl)propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-(3-oxo-1,2-benzoxazol-2-yl)propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-(3-oxo-1,2-benzoxazol-2-yl)propyl]purine-2,6-dione Traditional Name: 1-[3-(3-ketoindoxazen-2-yl)propyl]-3,7-dimethyl-xanthine Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3C(=O)C4=CC=CC=C4O3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3C(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C17H17N5O4/c1-19-10-18-14-13(19)16(24)21(17(25)20(14)2)8-5-9-22-15(23)11-6-3-4-7-12(11)26-22/h3-4,6-7,10H,5,8-9H2,1-2H3