N-[[2-cyano-4-(2-methylpropylamino)pyrimidin-5-yl]methyl]-4-(4-ethylpiperazin-1-yl)benzamide

Systemtic Name: N-[[2-cyano-4-(2-methylpropylamino)pyrimidin-5-yl]methyl]-4-(4-ethylpiperazin-1-yl)benzamide Openeye Name: N-[[2-cyano-4-(isobutylamino)pyrimidin-5-yl]methyl]-4-(4-ethylpiperazin-1-yl)benzamide CAS Name: N-[[2-cyano-4-(2-methylpropylamino)-5-pyrimidinyl]methyl]-4-(4-ethyl-1-piperazinyl)benzamide IUPAC Name: N-[[2-cyano-4-(2-methylpropylamino)pyrimidin-5-yl]methyl]-4-(4-ethylpiperazin-1-yl)benzamide Traditional Name: N-[[2-cyano-4-(isobutylamino)pyrimidin-5-yl]methyl]-4-(4-ethylpiperazino)benzamide Formula: C23H31N7O MolecularWeight: 421.53854

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC3=CN=C(N=C3NCC(C)C)C#N

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC3=CN=C(N=C3NCC(C)C)C#N

InChI

InChI=1S/C23H31N7O/c1-4-29-9-11-30(12-10-29)20-7-5-18(6-8-20)23(31)27-16-19-15-25-21(13-24)28-22(19)26-14-17(2)3/h5-8,15,17H,4,9-12,14,16H2,1-3H3,(H,27,31)(H,25,26,28)