3-[2-(4-nitrophenyl)ethyl]-1-propyl-8-(thiophen-2-ylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-[2-(4-nitrophenyl)ethyl]-1-propyl-8-(thiophen-2-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-[2-(4-nitrophenyl)ethyl]-1-propyl-8-(2-thienylmethyl)-7H-purine-2,6-dione CAS Name: 3-[2-(4-nitrophenyl)ethyl]-1-propyl-8-(thiophen-2-ylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-[2-(4-nitrophenyl)ethyl]-1-propyl-8-(thiophen-2-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-[2-(4-nitrophenyl)ethyl]-1-propyl-8-(2-thenyl)-7H-purine-2,6-quinone Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=CS3)N(C1=O)CCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=CS3)N(C1=O)CCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4S/c1-2-10-25-20(27)18-19(23-17(22-18)13-16-4-3-12-31-16)24(21(25)28)11-9-14-5-7-15(8-6-14)26(29)30/h3-8,12H,2,9-11,13H2,1H3,(H,22,23)