2-azanyl-8-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3,7-dihydropurin-6-one

Systemtic Name: 2-azanyl-8-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3,7-dihydropurin-6-one Openeye Name: 2-amino-8-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3,7-dihydropurin-6-one CAS Name: 2-amino-8-[[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-3,7-dihydropurin-6-one IUPAC Name: 2-amino-8-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3,7-dihydropurin-6-one Traditional Name: 2-amino-8-[[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]thio]-3,7-dihydropurin-6-one Formula: C17H18FN7O2S MolecularWeight: 403.433923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSC3=NC4=C(N3)C(=O)N=C(N4)N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSC3=NC4=C(N3)C(=O)N=C(N4)N

InChI

InChI=1S/C17H18FN7O2S/c18-10-1-3-11(4-2-10)24-5-7-25(8-6-24)12(26)9-28-17-20-13-14(22-17)21-16(19)23-15(13)27/h1-4H,5-9H2,(H4,19,20,21,22,23,27)