palladium; 6-(phenylmethylsulfanyl)-7H-purine; dihydrate

Systemtic Name: palladium; 6-(phenylmethylsulfanyl)-7H-purine; dihydrate Openeye Name: 6-benzylsulfanyl-7H-purine; palladium; dihydrate CAS Name: palladium; 6-(phenylmethylthio)-7H-purine; dihydrate IUPAC Name: 6-benzylsulfanyl-7H-purine; palladium; dihydrate Traditional Name: 6-(benzylthio)-7H-purine; palladium; dihydrate Formula: C48H44N16O2PdS4 MolecularWeight: 1111.64896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=NC3=C2NC=N3.C1=CC=C(C=C1)CSC2=NC=NC3=C2NC=N3.C1=CC=C(C=C1)CSC2=NC=NC3=C2NC=N3.C1=CC=C(C=C1)CSC2=NC=NC3=C2NC=N3.O.O.[Pd]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=NC3=C2NC=N3.C1=CC=C(C=C1)CSC2=NC=NC3=C2NC=N3.C1=CC=C(C=C1)CSC2=NC=NC3=C2NC=N3.C1=CC=C(C=C1)CSC2=NC=NC3=C2NC=N3.O.O.[Pd]

InChI

InChI=1S/4C12H10N4S.2H2O.Pd/c4*1-2-4-9(5-3-1)6-17-12-10-11(14-7-13-10)15-8-16-12;;;/h4*1-5,7-8H,6H2,(H,13,14,15,16);2*1H2;