N-(3-morpholin-4-ylpropyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(3-morpholin-4-ylpropyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-(3-morpholinopropyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-[3-(4-morpholinyl)propyl]-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-(3-morpholin-4-ylpropyl)-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: 3-morpholinopropyl-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCNC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3S/c23-22(24)15-16(18-7-4-8-21-9-11-25-12-10-21)19-13-20-17(15)26-14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2,(H,18,19,20)