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

Systemtic Name: N-[[2-cyano-4-(2-methylpropylamino)pyrimidin-5-yl]methyl]-4-(4-propylpiperazin-1-yl)benzamide Openeye Name: N-[[2-cyano-4-(isobutylamino)pyrimidin-5-yl]methyl]-4-(4-propylpiperazin-1-yl)benzamide CAS Name: N-[[2-cyano-4-(2-methylpropylamino)-5-pyrimidinyl]methyl]-4-(4-propyl-1-piperazinyl)benzamide IUPAC Name: N-[[2-cyano-4-(2-methylpropylamino)pyrimidin-5-yl]methyl]-4-(4-propylpiperazin-1-yl)benzamide Traditional Name: N-[[2-cyano-4-(isobutylamino)pyrimidin-5-yl]methyl]-4-(4-propylpiperazino)benzamide Formula: C24H33N7O MolecularWeight: 435.56512

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC3=CN=C(N=C3NCC(C)C)C#N

Isomeric SMILES

CCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC3=CN=C(N=C3NCC(C)C)C#N

InChI

InChI=1S/C24H33N7O/c1-4-9-30-10-12-31(13-11-30)21-7-5-19(6-8-21)24(32)28-17-20-16-26-22(14-25)29-23(20)27-15-18(2)3/h5-8,16,18H,4,9-13,15,17H2,1-3H3,(H,28,32)(H,26,27,29)