1-[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]purine-6-carboxylic acid

Systemtic Name: 1-[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]purine-6-carboxylic acid Openeye Name: 1-(5-benzyl-3-carbamoyl-2-thienyl)purine-6-carboxylic acid CAS Name: 1-[3-carbamoyl-5-(phenylmethyl)-2-thiophenyl]-6-purinecarboxylic acid IUPAC Name: 1-(5-benzyl-3-carbamoylthiophen-2-yl)purine-6-carboxylic acid Traditional Name: 1-(5-benzyl-3-carbamoyl-2-thienyl)purine-6-carboxylic acid Formula: C18H13N5O3S MolecularWeight: 379.39252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(S2)N3C=NC4=NC=NC4=C3C(=O)O)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(S2)N3C=NC4=NC=NC4=C3C(=O)O)C(=O)N

InChI

InChI=1S/C18H13N5O3S/c19-15(24)12-7-11(6-10-4-2-1-3-5-10)27-17(12)23-9-22-16-13(20-8-21-16)14(23)18(25)26/h1-5,7-9H,6H2,(H2,19,24)(H,25,26)