4-methyl-N-(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)-1,3-benzothiazol-2-amine

Systemtic Name: 4-methyl-N-(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)-1,3-benzothiazol-2-amine Openeye Name: 4-methyl-N-(6-morpholino-5-nitro-pyrimidin-4-yl)-1,3-benzothiazol-2-amine CAS Name: 4-methyl-N-[6-(4-morpholinyl)-5-nitro-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: 4-methyl-N-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)-1,3-benzothiazol-2-amine Traditional Name: (4-methyl-1,3-benzothiazol-2-yl)-(6-morpholino-5-nitro-pyrimidin-4-yl)amine Formula: C16H16N6O3S MolecularWeight: 372.40164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C16H16N6O3S/c1-10-3-2-4-11-12(10)19-16(26-11)20-14-13(22(23)24)15(18-9-17-14)21-5-7-25-8-6-21/h2-4,9H,5-8H2,1H3,(H,17,18,19,20)