N-[2-(1,3-dioxolan-2-yl)ethyl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-[2-(1,3-dioxolan-2-yl)ethyl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]-5-nitro-pyrimidin-4-amine CAS Name: N-[2-(1,3-dioxolan-2-yl)ethyl]-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-[2-(1,3-dioxolan-2-yl)ethyl]amine Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCCC4OCCO4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCCC4OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O4/c27-26(28)18-19(21-7-6-17-29-12-13-30-17)22-15-23-20(18)25-10-8-24(9-11-25)14-16-4-2-1-3-5-16/h1-5,15,17H,6-14H2,(H,21,22,23)