[1-[(2-azanyl-6-phenylsulfanyl-purin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid

Systemtic Name: [1-[(2-azanyl-6-phenylsulfanyl-purin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid Openeye Name: [1-[(2-amino-6-phenylsulfanyl-purin-9-yl)methyl]cyclopropoxy]methylphosphonic acid CAS Name: [1-[[2-amino-6-(phenylthio)-9-purinyl]methyl]cyclopropyl]oxymethylphosphonic acid IUPAC Name: [1-[(2-amino-6-phenylsulfanylpurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid Traditional Name: [1-[[2-amino-6-(phenylthio)purin-9-yl]methyl]cyclopropoxy]methylphosphonic acid Formula: C16H18N5O4PS MolecularWeight: 407.383981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1(CN2C=NC3=C2N=C(N=C3SC4=CC=CC=C4)N)OCP(=O)(O)O

Isomeric SMILES

C1CC1(CN2C=NC3=C2N=C(N=C3SC4=CC=CC=C4)N)OCP(=O)(O)O

InChI

InChI=1S/C16H18N5O4PS/c17-15-19-13-12(14(20-15)27-11-4-2-1-3-5-11)18-9-21(13)8-16(6-7-16)25-10-26(22,23)24/h1-5,9H,6-8,10H2,(H2,17,19,20)(H2,22,23,24)