[1-(6-aminopurin-9-yl)-2-methyl-hepta-2,3-dien-4-yl]phosphonic acid

Systemtic Name: [1-(6-aminopurin-9-yl)-2-methyl-hepta-2,3-dien-4-yl]phosphonic acid Openeye Name: [4-(6-aminopurin-9-yl)-3-methyl-1-propyl-buta-1,2-dienyl]phosphonic acid CAS Name: [1-(6-aminopurin-9-yl)-2-methylhepta-2,3-dien-4-yl]phosphonic acid IUPAC Name: [1-(6-aminopurin-9-yl)-2-methylhepta-2,3-dien-4-yl]phosphonic acid Traditional Name: (4-adenin-9-yl-3-methyl-1-propyl-buta-1,2-dienyl)phosphonic acid Formula: C13H18N5O3P MolecularWeight: 323.287481

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C=C(C)CN1C=NC2=C1N=CN=C2N)P(=O)(O)O

Isomeric SMILES

CCCC(=C=C(C)CN1C=NC2=C1N=CN=C2N)P(=O)(O)O

InChI

InChI=1S/C13H18N5O3P/c1-3-4-10(22(19,20)21)5-9(2)6-18-8-17-11-12(14)15-7-16-13(11)18/h7-8H,3-4,6H2,1-2H3,(H2,14,15,16)(H2,19,20,21)