2-[1-[[2-azanyl-6-(4-methylphenyl)sulfanyl-purin-9-yl]methyl]cyclopropyl]ethylphosphonic acid

Systemtic Name: 2-[1-[[2-azanyl-6-(4-methylphenyl)sulfanyl-purin-9-yl]methyl]cyclopropyl]ethylphosphonic acid Openeye Name: 2-[1-[[2-amino-6-(p-tolylsulfanyl)purin-9-yl]methyl]cyclopropyl]ethylphosphonic acid CAS Name: 2-[1-[[2-amino-6-[(4-methylphenyl)thio]-9-purinyl]methyl]cyclopropyl]ethylphosphonic acid IUPAC Name: 2-[1-[[2-amino-6-(4-methylphenyl)sulfanylpurin-9-yl]methyl]cyclopropyl]ethylphosphonic acid Traditional Name: 2-[1-[[2-amino-6-(p-tolylthio)purin-9-yl]methyl]cyclopropyl]ethylphosphonic acid Formula: C18H22N5O3PS MolecularWeight: 419.437741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC(=NC3=C2N=CN3CC4(CC4)CCP(=O)(O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC(=NC3=C2N=CN3CC4(CC4)CCP(=O)(O)O)N

InChI

InChI=1S/C18H22N5O3PS/c1-12-2-4-13(5-3-12)28-16-14-15(21-17(19)22-16)23(11-20-14)10-18(6-7-18)8-9-27(24,25)26/h2-5,11H,6-10H2,1H3,(H2,19,21,22)(H2,24,25,26)