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

Systemtic Name: 6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-3,7-dihydropurin-2-one Openeye Name: 6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-3,7-dihydropurin-2-one CAS Name: 6-[(2-methyl-3-nitrophenyl)methylthio]-3,7-dihydropurin-2-one IUPAC Name: 6-[(2-methyl-3-nitrophenyl)methylsulfanyl]-3,7-dihydropurin-2-one Traditional Name: 6-[(2-methyl-3-nitro-benzyl)thio]-3,7-dihydropurin-2-one Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NC(=O)NC3=C2NC=N3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NC(=O)NC3=C2NC=N3

InChI

InChI=1S/C13H11N5O3S/c1-7-8(3-2-4-9(7)18(20)21)5-22-12-10-11(15-6-14-10)16-13(19)17-12/h2-4,6H,5H2,1H3,(H2,14,15,16,17,19)