N-(3-methoxypropyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-(3-methoxypropyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(3-methoxypropyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-(3-methoxypropyl)-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-(3-methoxypropyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: 3-methoxypropyl-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H24N6O3/c1-27-13-5-8-19-17-16(24(25)26)18(21-14-20-17)23-11-9-22(10-12-23)15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-13H2,1H3,(H,19,20,21)