9-(1,3-benzodioxol-5-yl)-2-(3-methylthiophen-2-yl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-2-(3-methylthiophen-2-yl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-2-(3-methyl-2-thienyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-2-(3-methyl-2-thiophenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-2-(3-methylthiophen-2-yl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-8-keto-2-(3-methyl-2-thienyl)-7H-purine-6-carboxamide Formula: C18H13N5O4S MolecularWeight: 395.39192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N

Isomeric SMILES

CC1=C(SC=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N

InChI

InChI=1S/C18H13N5O4S/c1-8-4-5-28-14(8)16-20-12(15(19)24)13-17(22-16)23(18(25)21-13)9-2-3-10-11(6-9)27-7-26-10/h2-6H,7H2,1H3,(H2,19,24)(H,21,25)