2-azanyl-8-[(4-methylphenyl)methylsulfanyl]-3,7-dihydropurin-6-one

Systemtic Name: 2-azanyl-8-[(4-methylphenyl)methylsulfanyl]-3,7-dihydropurin-6-one Openeye Name: 2-amino-8-(p-tolylmethylsulfanyl)-3,7-dihydropurin-6-one CAS Name: 2-amino-8-[(4-methylphenyl)methylthio]-3,7-dihydropurin-6-one IUPAC Name: 2-amino-8-[(4-methylphenyl)methylsulfanyl]-3,7-dihydropurin-6-one Traditional Name: 2-amino-8-[(4-methylbenzyl)thio]-3,7-dihydropurin-6-one Formula: C13H13N5OS MolecularWeight: 287.34022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(N2)C(=O)N=C(N3)N

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(N2)C(=O)N=C(N3)N

InChI

InChI=1S/C13H13N5OS/c1-7-2-4-8(5-3-7)6-20-13-15-9-10(17-13)16-12(14)18-11(9)19/h2-5H,6H2,1H3,(H4,14,15,16,17,18,19)