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

Systemtic Name: N-(3-morpholin-4-ylpropyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(3-morpholinopropyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-[3-(4-morpholinyl)propyl]-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-(3-morpholin-4-ylpropyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: 3-morpholinopropyl-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C21H29N7O3 MolecularWeight: 427.50006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NCCCN4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NCCCN4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H29N7O3/c29-28(30)19-20(22-7-4-8-25-13-15-31-16-14-25)23-17-24-21(19)27-11-9-26(10-12-27)18-5-2-1-3-6-18/h1-3,5-6,17H,4,7-16H2,(H,22,23,24)