3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5,6-dimethyl-7-phenyl-4-pyrrolo[2,3-d]pyrimidinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-4-one Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=O)N(C=N2)CC(=O)N3CCCCCC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=O)N(C=N2)CC(=O)N3CCCCCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H26N4O2/c1-16-17(2)26(18-10-6-5-7-11-18)21-20(16)22(28)25(15-23-21)14-19(27)24-12-8-3-4-9-13-24/h5-7,10-11,15H,3-4,8-9,12-14H2,1-2H3