[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoate Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)CCN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)CCN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C18H25N5O4/c1-13(17(25)22-8-5-3-4-6-9-22)27-15(24)7-10-23-12-19-16-14(18(23)26)11-20-21(16)2/h11-13H,3-10H2,1-2H3