N-(2-methoxyethyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]-N-propyl-pyrimidin-4-amine

Systemtic Name: N-(2-methoxyethyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]-N-propyl-pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-5-nitro-N-propyl-pyrimidin-4-amine CAS Name: N-(2-methoxyethyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-N-propyl-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-5-nitro-N-propylpyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(2-methoxyethyl)-propyl-amine Formula: C21H30N6O3 MolecularWeight: 414.5013

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCOC)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCN(CCOC)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H30N6O3/c1-3-9-25(14-15-30-2)20-19(27(28)29)21(23-17-22-20)26-12-10-24(11-13-26)16-18-7-5-4-6-8-18/h4-8,17H,3,9-16H2,1-2H3