5-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[3-(azepan-1-yl)-3-oxo-propyl]-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[3-(1-azepanyl)-3-oxopropyl]-6-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[3-(azepan-1-yl)-3-oxopropyl]-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[3-(azepan-1-yl)-3-keto-propyl]-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1CCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1CCC(=O)N4CCCCCC4

InChI

InChI=1S/C21H25N5O2/c1-16-23-20-18(15-22-26(20)17-9-5-4-6-10-17)21(28)25(16)14-11-19(27)24-12-7-2-3-8-13-24/h4-6,9-10,15H,2-3,7-8,11-14H2,1H3