[3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]phenyl]methylsulfanylmethylphosphonic acid

Systemtic Name: [3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]phenyl]methylsulfanylmethylphosphonic acid Openeye Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]methylsulfanylmethylphosphonic acid CAS Name: [[3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]methylthio]methylphosphonic acid IUPAC Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]methylsulfanylmethylphosphonic acid Traditional Name: [[3-[(2-amino-6-keto-3H-purin-9-yl)methyl]benzyl]thio]methylphosphonic acid Formula: C14H16N5O4PS MolecularWeight: 381.346701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSCP(=O)(O)O)CN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1=CC(=CC(=C1)CSCP(=O)(O)O)CN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C14H16N5O4PS/c15-14-17-12-11(13(20)18-14)16-7-19(12)5-9-2-1-3-10(4-9)6-25-8-24(21,22)23/h1-4,7H,5-6,8H2,(H2,21,22,23)(H3,15,17,18,20)