1-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-3-morpholin-4-yl-propan-2-ol

Systemtic Name: 1-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-3-morpholin-4-yl-propan-2-ol Openeye Name: 1-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]-3-morpholino-propan-2-ol CAS Name: 1-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]-3-(4-morpholinyl)-2-propanol IUPAC Name: 1-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]-3-morpholin-4-ylpropan-2-ol Traditional Name: 1-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]-3-morpholino-propan-2-ol Formula: C17H21ClN6O4 MolecularWeight: 408.83944

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC(CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1COCCN1CC(CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C17H21ClN6O4/c18-12-1-3-13(4-2-12)21-17-20-10-15(24(26)27)16(22-17)19-9-14(25)11-23-5-7-28-8-6-23/h1-4,10,14,25H,5-9,11H2,(H2,19,20,21,22)