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

Systemtic Name: [1-(6-aminopurin-9-yl)-2-methyl-octa-2,3-dien-4-yl]phosphonic acid Openeye Name: 1-[3-(6-aminopurin-9-yl)-2-methyl-prop-1-enylidene]pentylphosphonic acid CAS Name: [1-(6-aminopurin-9-yl)-2-methylocta-2,3-dien-4-yl]phosphonic acid IUPAC Name: [1-(6-aminopurin-9-yl)-2-methylocta-2,3-dien-4-yl]phosphonic acid Traditional Name: (4-adenin-9-yl-1-butyl-3-methyl-buta-1,2-dienyl)phosphonic acid Formula: C14H20N5O3P MolecularWeight: 337.314061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N5O3P/c1-3-4-5-11(23(20,21)22)6-10(2)7-19-9-18-12-13(15)16-8-17-14(12)19/h8-9H,3-5,7H2,1-2H3,(H2,15,16,17)(H2,20,21,22)