6-(3,4-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(3,4-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,4-dimethylphenoxy)-N-(2-morpholinoethyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,4-dimethylphenoxy)-N-[2-(4-morpholinyl)ethyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,4-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-(2-morpholinoethyl)amine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCN3CCOCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCN3CCOCC3)C

InChI

InChI=1S/C18H23N5O4/c1-13-3-4-15(11-14(13)2)27-18-16(23(24)25)17(20-12-21-18)19-5-6-22-7-9-26-10-8-22/h3-4,11-12H,5-10H2,1-2H3,(H,19,20,21)