9-(4-tert-butylphenyl)-2-(3-methylthiophen-2-yl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(4-tert-butylphenyl)-2-(3-methylthiophen-2-yl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(4-tert-butylphenyl)-2-(3-methyl-2-thienyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(4-tert-butylphenyl)-2-(3-methyl-2-thiophenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(4-tert-butylphenyl)-2-(3-methylthiophen-2-yl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(4-tert-butylphenyl)-8-keto-2-(3-methyl-2-thienyl)-7H-purine-6-carboxamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)C(C)(C)C)C(=O)N

Isomeric SMILES

CC1=C(SC=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)C(C)(C)C)C(=O)N

InChI

InChI=1S/C21H21N5O2S/c1-11-9-10-29-16(11)18-23-14(17(22)27)15-19(25-18)26(20(28)24-15)13-7-5-12(6-8-13)21(2,3)4/h5-10H,1-4H3,(H2,22,27)(H,24,28)