N-(3-chloranyl-4-methyl-phenyl)-6-methyl-2-morpholin-4-yl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-6-methyl-2-morpholin-4-yl-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-chloro-4-methyl-phenyl)-6-methyl-2-morpholino-5-nitro-pyrimidin-4-amine CAS Name: N-(3-chloro-4-methylphenyl)-6-methyl-2-(4-morpholinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-chloro-4-methylphenyl)-6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-amine Traditional Name: (3-chloro-4-methyl-phenyl)-(6-methyl-2-morpholino-5-nitro-pyrimidin-4-yl)amine Formula: C16H18ClN5O3 MolecularWeight: 363.79882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])C)N3CCOCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])C)N3CCOCC3)Cl

InChI

InChI=1S/C16H18ClN5O3/c1-10-3-4-12(9-13(10)17)19-15-14(22(23)24)11(2)18-16(20-15)21-5-7-25-8-6-21/h3-4,9H,5-8H2,1-2H3,(H,18,19,20)