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

Systemtic Name: N-[2-(1,3-dioxolan-2-yl)ethyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-[2-(1,3-dioxolan-2-yl)ethyl]-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-[2-(1,3-dioxolan-2-yl)ethyl]-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-[2-(1,3-dioxolan-2-yl)ethyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: 2-(1,3-dioxolan-2-yl)ethyl-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C18H23N7O4 MolecularWeight: 401.41972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NCCC4OCCO4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NCCC4OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H23N7O4/c26-25(27)16-17(20-6-4-15-28-11-12-29-15)21-13-22-18(16)24-9-7-23(8-10-24)14-3-1-2-5-19-14/h1-3,5,13,15H,4,6-12H2,(H,20,21,22)