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

Systemtic Name: [4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-(3-nitrophenyl)methanone Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O3/c1-13(2)18-20-14(3)11-17(21-18)22-7-9-23(10-8-22)19(25)15-5-4-6-16(12-15)24(26)27/h4-6,11-13H,7-10H2,1-3H3