6-[(4-chloranyl-2-nitro-phenyl)methylsulfanyl]-3,7-dihydropurin-2-one

Systemtic Name: 6-[(4-chloranyl-2-nitro-phenyl)methylsulfanyl]-3,7-dihydropurin-2-one Openeye Name: 6-[(4-chloro-2-nitro-phenyl)methylsulfanyl]-3,7-dihydropurin-2-one CAS Name: 6-[(4-chloro-2-nitrophenyl)methylthio]-3,7-dihydropurin-2-one IUPAC Name: 6-[(4-chloro-2-nitrophenyl)methylsulfanyl]-3,7-dihydropurin-2-one Traditional Name: 6-[(4-chloro-2-nitro-benzyl)thio]-3,7-dihydropurin-2-one Formula: C12H8ClN5O3S MolecularWeight: 337.74162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)[N+](=O)[O-])CSC2=NC(=O)NC3=C2NC=N3

Isomeric SMILES

C1=CC(=C(C=C1Cl)[N+](=O)[O-])CSC2=NC(=O)NC3=C2NC=N3

InChI

InChI=1S/C12H8ClN5O3S/c13-7-2-1-6(8(3-7)18(20)21)4-22-11-9-10(15-5-14-9)16-12(19)17-11/h1-3,5H,4H2,(H2,14,15,16,17,19)