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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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