N-[[1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidin-3-yl]methyl]ethanamide

Systemtic Name: N-[[1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidin-3-yl]methyl]ethanamide Openeye Name: N-[[1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-3-piperidyl]methyl]acetamide CAS Name: N-[[1-[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-3-piperidinyl]methyl]acetamide IUPAC Name: N-[[1-[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]piperidin-3-yl]methyl]acetamide Traditional Name: N-[[1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-3-piperidyl]methyl]acetamide Formula: C18H21ClN6O3 MolecularWeight: 404.85074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1CCCN(C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NCC1CCCN(C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H21ClN6O3/c1-12(26)20-9-13-3-2-8-24(11-13)17-16(25(27)28)10-21-18(23-17)22-15-6-4-14(19)5-7-15/h4-7,10,13H,2-3,8-9,11H2,1H3,(H,20,26)(H,21,22,23)