2-azanyl-8-phenacylsulfanyl-3,7-dihydropurin-6-one

Systemtic Name: 2-azanyl-8-phenacylsulfanyl-3,7-dihydropurin-6-one Openeye Name: 2-amino-8-phenacylsulfanyl-3,7-dihydropurin-6-one CAS Name: 2-amino-8-(phenacylthio)-3,7-dihydropurin-6-one IUPAC Name: 2-amino-8-phenacylsulfanyl-3,7-dihydropurin-6-one Traditional Name: 2-amino-8-(phenacylthio)-3,7-dihydropurin-6-one Formula: C13H11N5O2S MolecularWeight: 301.32374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O2S/c14-12-16-10-9(11(20)18-12)15-13(17-10)21-6-8(19)7-4-2-1-3-5-7/h1-5H,6H2,(H4,14,15,16,17,18,20)