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

Systemtic Name: 2-[2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)acetyl]amino]thiophene-3-carboxamide Formula: C21H20N6O4S MolecularWeight: 452.4863

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=C(C=CS4)C(=O)N

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C21H20N6O4S/c1-2-25-12-23-18-16(25)20(30)27(21(31)26(18)10-13-6-4-3-5-7-13)11-15(28)24-19-14(17(22)29)8-9-32-19/h3-9,12H,2,10-11H2,1H3,(H2,22,29)(H,24,28)