1-[4-(5,6-dimethyl-7-phenethyl-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 1-[4-(5,6-dimethyl-7-phenethyl-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(5,6-dimethyl-7-phenethyl-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-(5,6-dimethyl-7-phenethyl-4-pyrrolo[2,3-d]pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 1-[4-(5,6-dimethyl-7-phenethylpyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(5,6-dimethyl-7-phenethyl-pyrrolo[2,3-d]pyrimidin-4-yl)piperazino]ethanone Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)N3CCN(CC3)C(=O)C)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)N3CCN(CC3)C(=O)C)CCC4=CC=CC=C4)C

InChI

InChI=1S/C22H27N5O/c1-16-17(2)27(10-9-19-7-5-4-6-8-19)22-20(16)21(23-15-24-22)26-13-11-25(12-14-26)18(3)28/h4-8,15H,9-14H2,1-3H3