N-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine

Systemtic Name: N-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine Openeye Name: N-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-5-methyl-isoxazol-3-amine CAS Name: N-[6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-5-methyl-3-isoxazolamine IUPAC Name: N-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine Traditional Name: [6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(5-methylisoxazol-3-yl)amine Formula: C18H18ClN7O3 MolecularWeight: 415.83362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC(=NO1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H18ClN7O3/c1-12-9-15(23-29-12)22-17-16(26(27)28)18(21-11-20-17)25-7-5-24(6-8-25)14-4-2-3-13(19)10-14/h2-4,9-11H,5-8H2,1H3,(H,20,21,22,23)