4-[[4-(cyclopentylamino)-5-fluoranyl-pyrimidin-2-yl]amino]-N-(2-diethylaminoethyl)benzamide

Systemtic Name: 4-[[4-(cyclopentylamino)-5-fluoranyl-pyrimidin-2-yl]amino]-N-(2-diethylaminoethyl)benzamide Openeye Name: 4-[[4-(cyclopentylamino)-5-fluoro-pyrimidin-2-yl]amino]-N-(2-diethylaminoethyl)benzamide CAS Name: 4-[[4-(cyclopentylamino)-5-fluoro-2-pyrimidinyl]amino]-N-(2-diethylaminoethyl)benzamide IUPAC Name: 4-[[4-(cyclopentylamino)-5-fluoropyrimidin-2-yl]amino]-N-(2-diethylaminoethyl)benzamide Traditional Name: 4-[[4-(cyclopentylamino)-5-fluoro-pyrimidin-2-yl]amino]-N-(2-diethylaminoethyl)benzamide Formula: C22H31FN6O MolecularWeight: 414.519543

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3CCCC3)F

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3CCCC3)F

InChI

InChI=1S/C22H31FN6O/c1-3-29(4-2)14-13-24-21(30)16-9-11-18(12-10-16)27-22-25-15-19(23)20(28-22)26-17-7-5-6-8-17/h9-12,15,17H,3-8,13-14H2,1-2H3,(H,24,30)(H2,25,26,27,28)