[4-[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [4-[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-[6-(dimethylamino)-2-methyl-4-pyrimidinyl]-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]piperazino]-(3-nitrophenyl)methanone Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N(C)C)N2CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CC(=N1)N(C)C)N2CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O3/c1-13-19-16(21(2)3)12-17(20-13)22-7-9-23(10-8-22)18(25)14-5-4-6-15(11-14)24(26)27/h4-6,11-12H,7-10H2,1-3H3