N-(3,3-dimethylbutyl)-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide

Systemtic Name: N-(3,3-dimethylbutyl)-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Openeye Name: N-(3,3-dimethylbutyl)-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide CAS Name: N-(3,3-dimethylbutyl)-3-[[2-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]benzamide IUPAC Name: N-(3,3-dimethylbutyl)-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Traditional Name: N-(3,3-dimethylbutyl)-3-[[2-(4-phenylpiperazino)pyrimidin-4-yl]amino]benzamide Formula: C27H34N6O MolecularWeight: 458.59846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNC(=O)C1=CC(=CC=C1)NC2=NC(=NC=C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)CCNC(=O)C1=CC(=CC=C1)NC2=NC(=NC=C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H34N6O/c1-27(2,3)13-15-28-25(34)21-8-7-9-22(20-21)30-24-12-14-29-26(31-24)33-18-16-32(17-19-33)23-10-5-4-6-11-23/h4-12,14,20H,13,15-19H2,1-3H3,(H,28,34)(H,29,30,31)