N-(4-morpholin-4-ylphenyl)-7-(4-nitrophenyl)sulfanyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine

Systemtic Name: N-(4-morpholin-4-ylphenyl)-7-(4-nitrophenyl)sulfanyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine Openeye Name: N-(4-morpholinophenyl)-7-(4-nitrophenyl)sulfanyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine CAS Name: N-[4-(4-morpholinyl)phenyl]-7-[(4-nitrophenyl)thio]-5H-pyrrolo[3,2-d]pyrimidin-2-amine IUPAC Name: N-(4-morpholin-4-ylphenyl)-7-(4-nitrophenyl)sulfanyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine Traditional Name: (4-morpholinophenyl)-[7-[(4-nitrophenyl)thio]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amine Formula: C22H20N6O3S MolecularWeight: 448.4976

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC3=NC=C4C(=N3)C(=CN4)SC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC3=NC=C4C(=N3)C(=CN4)SC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O3S/c29-28(30)17-5-7-18(8-6-17)32-20-14-23-19-13-24-22(26-21(19)20)25-15-1-3-16(4-2-15)27-9-11-31-12-10-27/h1-8,13-14,23H,9-12H2,(H,24,25,26)