[3-[1-[(6-aminopurin-9-yl)methyl]cyclopropyl]oxy-2,4-dimethyl-pentan-3-yl]phosphonic acid

Systemtic Name: [3-[1-[(6-aminopurin-9-yl)methyl]cyclopropyl]oxy-2,4-dimethyl-pentan-3-yl]phosphonic acid Openeye Name: [1-[1-[(6-aminopurin-9-yl)methyl]cyclopropoxy]-1-isopropyl-2-methyl-propyl]phosphonic acid CAS Name: [3-[1-[(6-aminopurin-9-yl)methyl]cyclopropyl]oxy-2,4-dimethylpentan-3-yl]phosphonic acid IUPAC Name: [3-[1-[(6-aminopurin-9-yl)methyl]cyclopropyl]oxy-2,4-dimethylpentan-3-yl]phosphonic acid Traditional Name: [1-[1-(adenin-9-ylmethyl)cyclopropoxy]-1-isopropyl-2-methyl-propyl]phosphonic acid Formula: C16H26N5O4P MolecularWeight: 383.382501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C)(OC1(CC1)CN2C=NC3=C2N=CN=C3N)P(=O)(O)O

Isomeric SMILES

CC(C)C(C(C)C)(OC1(CC1)CN2C=NC3=C2N=CN=C3N)P(=O)(O)O

InChI

InChI=1S/C16H26N5O4P/c1-10(2)16(11(3)4,26(22,23)24)25-15(5-6-15)7-21-9-20-12-13(17)18-8-19-14(12)21/h8-11H,5-7H2,1-4H3,(H2,17,18,19)(H2,22,23,24)