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

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-N,N-bis(2-methoxyethyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-bis(2-methoxyethyl)amine Formula: C20H27ClN6O4 MolecularWeight: 450.91918

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

COCCN(CCOC)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H27ClN6O4/c1-30-12-10-26(11-13-31-2)20-18(27(28)29)19(22-15-23-20)25-8-6-24(7-9-25)17-5-3-4-16(21)14-17/h3-5,14-15H,6-13H2,1-2H3