[5-[(2-azanyl-4-methyl-pentanoyl)oxymethyl]-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl 2-azanyl-4-methyl-pentanoate

Systemtic Name: [5-[(2-azanyl-4-methyl-pentanoyl)oxymethyl]-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl 2-azanyl-4-methyl-pentanoate Openeye Name: [5-[(2-amino-4-methyl-pentanoyl)oxymethyl]-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl 2-amino-4-methyl-pentanoate CAS Name: 2-amino-4-methylpentanoic acid [5-[(2-amino-4-methyl-1-oxopentoxy)methyl]-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl ester IUPAC Name: [5-[(2-amino-4-methylpentanoyl)oxymethyl]-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl 2-amino-4-methylpentanoate Traditional Name: 2-amino-4-methyl-valeric acid [5-[(2-amino-4-methyl-pentanoyl)oxymethyl]-4-keto-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl ester Formula: C19H31N6O5+ MolecularWeight: 423.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCN1C=C2C(=NC=[N+](C2=O)COC(=O)C(CC(C)C)N)N1)N

Isomeric SMILES

CC(C)CC(C(=O)OCN1C=C2C(=NC=[N+](C2=O)COC(=O)C(CC(C)C)N)N1)N

InChI

InChI=1S/C19H30N6O5/c1-11(2)5-14(20)18(27)29-9-24-8-22-16-13(17(24)26)7-25(23-16)10-30-19(28)15(21)6-12(3)4/h7-8,11-12,14-15H,5-6,9-10,20-21H2,1-4H3/p+1