2-[2-[7-butyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[7-butyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-(3-benzyl-7-butyl-2,6-dioxo-purin-1-yl)acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[7-butyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-(3-benzyl-7-butyl-2,6-dioxopurin-1-yl)acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-(3-benzyl-7-butyl-2,6-diketo-purin-1-yl)acetyl]amino]thiophene-3-carboxamide Formula: C23H24N6O4S MolecularWeight: 480.53946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=C(C=CS4)C(=O)N

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C23H24N6O4S/c1-2-3-10-27-14-25-20-18(27)22(32)29(23(33)28(20)12-15-7-5-4-6-8-15)13-17(30)26-21-16(19(24)31)9-11-34-21/h4-9,11,14H,2-3,10,12-13H2,1H3,(H2,24,31)(H,26,30)