6-morpholin-4-yl-5-nitro-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: 6-morpholin-4-yl-5-nitro-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 2-(4-benzylpiperazin-1-yl)-6-morpholino-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-morpholinyl)-5-nitro-2-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-6-morpholin-4-yl-5-nitropyrimidin-4-amine Traditional Name: [2-(4-benzylpiperazino)-6-morpholino-5-nitro-pyrimidin-4-yl]amine Formula: C19H25N7O3 MolecularWeight: 399.4469

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC(=C(C(=N3)N)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC(=C(C(=N3)N)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C19H25N7O3/c20-17-16(26(27)28)18(24-10-12-29-13-11-24)22-19(21-17)25-8-6-23(7-9-25)14-15-4-2-1-3-5-15/h1-5H,6-14H2,(H2,20,21,22)