N-[5-[(4-methylpiperazin-1-yl)methyl]-4-oxidanylidene-pyrrolo[2,3-d]pyrimidin-2-yl]octanamide

Systemtic Name: N-[5-[(4-methylpiperazin-1-yl)methyl]-4-oxidanylidene-pyrrolo[2,3-d]pyrimidin-2-yl]octanamide Openeye Name: N-[5-[(4-methylpiperazin-1-yl)methyl]-4-oxo-pyrrolo[2,3-d]pyrimidin-2-yl]octanamide CAS Name: N-[5-[(4-methyl-1-piperazinyl)methyl]-4-oxo-2-pyrrolo[2,3-d]pyrimidinyl]octanamide IUPAC Name: N-[5-[(4-methylpiperazin-1-yl)methyl]-4-oxopyrrolo[2,3-d]pyrimidin-2-yl]octanamide Traditional Name: N-[4-keto-5-[(4-methylpiperazino)methyl]pyrrolo[2,3-d]pyrimidin-2-yl]caprylamide Formula: C20H30N6O2 MolecularWeight: 386.4912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=NC(=O)C2=C(C=NC2=N1)CN3CCN(CC3)C

Isomeric SMILES

CCCCCCCC(=O)NC1=NC(=O)C2=C(C=NC2=N1)CN3CCN(CC3)C

InChI

InChI=1S/C20H30N6O2/c1-3-4-5-6-7-8-16(27)22-20-23-18-17(19(28)24-20)15(13-21-18)14-26-11-9-25(2)10-12-26/h13H,3-12,14H2,1-2H3,(H,22,24,27,28)