9-(4-tert-butylphenyl)-2-(5-methylfuran-2-yl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(4-tert-butylphenyl)-2-(5-methylfuran-2-yl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(4-tert-butylphenyl)-2-(5-methyl-2-furyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(4-tert-butylphenyl)-2-(5-methyl-2-furanyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(4-tert-butylphenyl)-2-(5-methylfuran-2-yl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(4-tert-butylphenyl)-8-keto-2-(5-methyl-2-furyl)-7H-purine-6-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)C(C)(C)C)C(=O)N

Isomeric SMILES

CC1=CC=C(O1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)C(C)(C)C)C(=O)N

InChI

InChI=1S/C21H21N5O3/c1-11-5-10-14(29-11)18-23-15(17(22)27)16-19(25-18)26(20(28)24-16)13-8-6-12(7-9-13)21(2,3)4/h5-10H,1-4H3,(H2,22,27)(H,24,28)