4-[(2-azanyl-6-morpholin-4-yl-pyrimidin-4-yl)amino]-N,N-bis(2-oxidanylpropyl)benzamide

Systemtic Name: 4-[(2-azanyl-6-morpholin-4-yl-pyrimidin-4-yl)amino]-N,N-bis(2-oxidanylpropyl)benzamide Openeye Name: 4-[(2-amino-6-morpholino-pyrimidin-4-yl)amino]-N,N-bis(2-hydroxypropyl)benzamide CAS Name: 4-[[2-amino-6-(4-morpholinyl)-4-pyrimidinyl]amino]-N,N-bis(2-hydroxypropyl)benzamide IUPAC Name: 4-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N,N-bis(2-hydroxypropyl)benzamide Traditional Name: 4-[(2-amino-6-morpholino-pyrimidin-4-yl)amino]-N,N-bis(2-hydroxypropyl)benzamide Formula: C21H30N6O4 MolecularWeight: 430.5007

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N6O4/c1-14(28)12-27(13-15(2)29)20(30)16-3-5-17(6-4-16)23-18-11-19(25-21(22)24-18)26-7-9-31-10-8-26/h3-6,11,14-15,28-29H,7-10,12-13H2,1-2H3,(H3,22,23,24,25)