2-[2-[[7-butyl-2-oxidanylidene-3-(phenylmethyl)-4,5-dihydropurin-6-yl]oxy]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[[7-butyl-2-oxidanylidene-3-(phenylmethyl)-4,5-dihydropurin-6-yl]oxy]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[(3-benzyl-7-butyl-2-oxo-4,5-dihydropurin-6-yl)oxy]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[[7-butyl-2-oxo-3-(phenylmethyl)-4,5-dihydropurin-6-yl]oxy]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[(3-benzyl-7-butyl-2-oxo-4,5-dihydropurin-6-yl)oxy]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[(3-benzyl-7-butyl-2-keto-4,5-dihydropurin-6-yl)oxy]acetyl]amino]thiophene-3-carboxamide Formula: C23H26N6O4S MolecularWeight: 482.55534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2C1C(=NC(=O)N2CC3=CC=CC=C3)OCC(=O)NC4=C(C=CS4)C(=O)N

Isomeric SMILES

CCCCN1C=NC2C1C(=NC(=O)N2CC3=CC=CC=C3)OCC(=O)NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C23H26N6O4S/c1-2-3-10-28-14-25-20-18(28)21(27-23(32)29(20)12-15-7-5-4-6-8-15)33-13-17(30)26-22-16(19(24)31)9-11-34-22/h4-9,11,14,18,20H,2-3,10,12-13H2,1H3,(H2,24,31)(H,26,30)