2-[[4-[(4-azanylcyclohexyl)methylamino]-5-nitro-pyrimidin-2-yl]amino]-1-phenyl-ethanone

Systemtic Name: 2-[[4-[(4-azanylcyclohexyl)methylamino]-5-nitro-pyrimidin-2-yl]amino]-1-phenyl-ethanone Openeye Name: 2-[[4-[(4-aminocyclohexyl)methylamino]-5-nitro-pyrimidin-2-yl]amino]-1-phenyl-ethanone CAS Name: 2-[[4-[(4-aminocyclohexyl)methylamino]-5-nitro-2-pyrimidinyl]amino]-1-phenylethanone IUPAC Name: 2-[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]-1-phenylethanone Traditional Name: 2-[[4-[(4-aminocyclohexyl)methylamino]-5-nitro-pyrimidin-2-yl]amino]-1-phenyl-ethanone Formula: C19H24N6O3 MolecularWeight: 384.43226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC2=NC(=NC=C2[N+](=O)[O-])NCC(=O)C3=CC=CC=C3)N

Isomeric SMILES

C1CC(CCC1CNC2=NC(=NC=C2[N+](=O)[O-])NCC(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C19H24N6O3/c20-15-8-6-13(7-9-15)10-21-18-16(25(27)28)11-22-19(24-18)23-12-17(26)14-4-2-1-3-5-14/h1-5,11,13,15H,6-10,12,20H2,(H2,21,22,23,24)