2-[[2-azanyl-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-azanyl-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-amino-9-[2-(phosphonomethoxy)ethyl]-6-purinyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-amino-9-[2-(phosphonomethoxy)ethyl]purin-6-yl]amino]-4-methyl-valeric acid Formula: C14H23N6O6P MolecularWeight: 402.342781

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC1=NC(=NC2=C1N=CN2CCOCP(=O)(O)O)N

Isomeric SMILES

CC(C)CC(C(=O)O)NC1=NC(=NC2=C1N=CN2CCOCP(=O)(O)O)N

InChI

InChI=1S/C14H23N6O6P/c1-8(2)5-9(13(21)22)17-11-10-12(19-14(15)18-11)20(6-16-10)3-4-26-7-27(23,24)25/h6,8-9H,3-5,7H2,1-2H3,(H,21,22)(H2,23,24,25)(H3,15,17,18,19)