[6-[(6-aminopurin-9-yl)methyl]-6-methyl-2,3-dihydropyran-4-yl]phosphonic acid

Systemtic Name: [6-[(6-aminopurin-9-yl)methyl]-6-methyl-2,3-dihydropyran-4-yl]phosphonic acid Openeye Name: [6-[(6-aminopurin-9-yl)methyl]-6-methyl-2,3-dihydropyran-4-yl]phosphonic acid CAS Name: [6-[(6-aminopurin-9-yl)methyl]-6-methyl-2,3-dihydropyran-4-yl]phosphonic acid IUPAC Name: [6-[(6-aminopurin-9-yl)methyl]-6-methyl-2,3-dihydropyran-4-yl]phosphonic acid Traditional Name: [6-(adenin-9-ylmethyl)-6-methyl-2,3-dihydropyran-4-yl]phosphonic acid Formula: C12H16N5O4P MolecularWeight: 325.260301

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(CCO1)P(=O)(O)O)CN2C=NC3=C2N=CN=C3N

Isomeric SMILES

CC1(C=C(CCO1)P(=O)(O)O)CN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C12H16N5O4P/c1-12(4-8(2-3-21-12)22(18,19)20)5-17-7-16-9-10(13)14-6-15-11(9)17/h4,6-7H,2-3,5H2,1H3,(H2,13,14,15)(H2,18,19,20)