4-[(2-azanyl-6-morpholin-4-yl-pyrimidin-4-yl)amino]-N-(2-diethylaminoethyl)benzamide

Systemtic Name: 4-[(2-azanyl-6-morpholin-4-yl-pyrimidin-4-yl)amino]-N-(2-diethylaminoethyl)benzamide Openeye Name: 4-[(2-amino-6-morpholino-pyrimidin-4-yl)amino]-N-(2-diethylaminoethyl)benzamide CAS Name: 4-[[2-amino-6-(4-morpholinyl)-4-pyrimidinyl]amino]-N-(2-diethylaminoethyl)benzamide IUPAC Name: 4-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-(2-diethylaminoethyl)benzamide Traditional Name: 4-[(2-amino-6-morpholino-pyrimidin-4-yl)amino]-N-(2-diethylaminoethyl)benzamide Formula: C21H31N7O2 MolecularWeight: 413.51654

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2)N3CCOCC3)N

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2)N3CCOCC3)N

InChI

InChI=1S/C21H31N7O2/c1-3-27(4-2)10-9-23-20(29)16-5-7-17(8-6-16)24-18-15-19(26-21(22)25-18)28-11-13-30-14-12-28/h5-8,15H,3-4,9-14H2,1-2H3,(H,23,29)(H3,22,24,25,26)