6-(4-chloranyl-3-methyl-phenoxy)-N-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-chloranyl-3-methyl-phenoxy)-N-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chloro-3-methyl-phenoxy)-N-(3-morpholinopropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-chloro-3-methylphenoxy)-N-[3-(4-morpholinyl)propyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3-methylphenoxy)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(3-morpholinopropyl)amine Formula: C18H22ClN5O4 MolecularWeight: 407.85138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCCN3CCOCC3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCCN3CCOCC3)Cl

InChI

InChI=1S/C18H22ClN5O4/c1-13-11-14(3-4-15(13)19)28-18-16(24(25)26)17(21-12-22-18)20-5-2-6-23-7-9-27-10-8-23/h3-4,11-12H,2,5-10H2,1H3,(H,20,21,22)