N-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-2-amine

Systemtic Name: N-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-2-amine Openeye Name: N-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-2-amine CAS Name: N-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)-1-piperazinyl]-5-nitro-2-pyrimidinamine IUPAC Name: N-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-2-amine Traditional Name: (4-chlorophenyl)-[4-[4-(3-methoxyphenyl)piperazino]-5-nitro-pyrimidin-2-yl]amine Formula: C21H21ClN6O3 MolecularWeight: 440.88284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN6O3/c1-31-18-4-2-3-17(13-18)26-9-11-27(12-10-26)20-19(28(29)30)14-23-21(25-20)24-16-7-5-15(22)6-8-16/h2-8,13-14H,9-12H2,1H3,(H,23,24,25)