N-(2-morpholin-4-ylethyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-(2-morpholin-4-ylethyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(2-morpholinoethyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-[2-(4-morpholinyl)ethyl]-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-(2-morpholin-4-ylethyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: 2-morpholinoethyl-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C20H27N7O3 MolecularWeight: 413.47348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NCCN4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NCCN4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H27N7O3/c28-27(29)18-19(21-6-7-24-12-14-30-15-13-24)22-16-23-20(18)26-10-8-25(9-11-26)17-4-2-1-3-5-17/h1-5,16H,6-15H2,(H,21,22,23)