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

Systemtic Name: 3-[2-(4-nitrophenyl)ethyl]-1-propyl-8-(1,3-thiazol-4-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-[2-(4-nitrophenyl)ethyl]-1-propyl-8-(thiazol-4-ylmethyl)-7H-purine-2,6-dione CAS Name: 3-[2-(4-nitrophenyl)ethyl]-1-propyl-8-(4-thiazolylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-[2-(4-nitrophenyl)ethyl]-1-propyl-8-(1,3-thiazol-4-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-[2-(4-nitrophenyl)ethyl]-1-propyl-8-(thiazol-4-ylmethyl)-7H-purine-2,6-quinone Formula: C20H20N6O4S MolecularWeight: 440.4756

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=CSC=N3)N(C1=O)CCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=CSC=N3)N(C1=O)CCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O4S/c1-2-8-25-19(27)17-18(23-16(22-17)10-14-11-31-12-21-14)24(20(25)28)9-7-13-3-5-15(6-4-13)26(29)30/h3-6,11-12H,2,7-10H2,1H3,(H,22,23)