1-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-3-(dimethylamino)-1-piperidin-4-yl-propan-2-one

Systemtic Name: 1-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-3-(dimethylamino)-1-piperidin-4-yl-propan-2-one Openeye Name: 1-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]-3-(dimethylamino)-1-(4-piperidyl)propan-2-one CAS Name: 1-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]-3-(dimethylamino)-1-(4-piperidinyl)-2-propanone IUPAC Name: 1-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]-3-(dimethylamino)-1-piperidin-4-ylpropan-2-one Traditional Name: 1-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]-3-(dimethylamino)-1-(4-piperidyl)acetone Formula: C20H26ClN7O3 MolecularWeight: 447.91854

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(=O)C(C1CCNCC1)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)CC(=O)C(C1CCNCC1)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H26ClN7O3/c1-27(2)12-17(29)18(13-7-9-22-10-8-13)25-19-16(28(30)31)11-23-20(26-19)24-15-5-3-14(21)4-6-15/h3-6,11,13,18,22H,7-10,12H2,1-2H3,(H2,23,24,25,26)