2-[2-azanyl-6-[(4-phenylsulfanylpiperidin-1-yl)amino]purin-9-yl]-5-(chloromethyl)oxolane-3,4-diol

Systemtic Name: 2-[2-azanyl-6-[(4-phenylsulfanylpiperidin-1-yl)amino]purin-9-yl]-5-(chloromethyl)oxolane-3,4-diol Openeye Name: 2-[2-amino-6-[(4-phenylsulfanyl-1-piperidyl)amino]purin-9-yl]-5-(chloromethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[2-amino-6-[[4-(phenylthio)-1-piperidinyl]amino]-9-purinyl]-5-(chloromethyl)oxolane-3,4-diol IUPAC Name: 2-[2-amino-6-[(4-phenylsulfanylpiperidin-1-yl)amino]purin-9-yl]-5-(chloromethyl)oxolane-3,4-diol Traditional Name: 2-[2-amino-6-[[4-(phenylthio)piperidino]amino]purin-9-yl]-5-(chloromethyl)tetrahydrofuran-3,4-diol Formula: C21H26ClN7O3S MolecularWeight: 491.99424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=CC=CC=C2)NC3=NC(=NC4=C3N=CN4C5C(C(C(O5)CCl)O)O)N

Isomeric SMILES

C1CN(CCC1SC2=CC=CC=C2)NC3=NC(=NC4=C3N=CN4C5C(C(C(O5)CCl)O)O)N

InChI

InChI=1S/C21H26ClN7O3S/c22-10-14-16(30)17(31)20(32-14)29-11-24-15-18(25-21(23)26-19(15)29)27-28-8-6-13(7-9-28)33-12-4-2-1-3-5-12/h1-5,11,13-14,16-17,20,30-31H,6-10H2,(H3,23,25,26,27)