(6S)-4-methyl-6-(4-morpholin-4-ylphenyl)-5-(3-nitrophenyl)imino-1,3-diazinan-2-one

Systemtic Name: (6S)-4-methyl-6-(4-morpholin-4-ylphenyl)-5-(3-nitrophenyl)imino-1,3-diazinan-2-one Openeye Name: (6S)-4-methyl-6-(4-morpholinophenyl)-5-(3-nitrophenyl)imino-hexahydropyrimidin-2-one CAS Name: (6S)-4-methyl-6-[4-(4-morpholinyl)phenyl]-5-(3-nitrophenyl)imino-1,3-diazinan-2-one IUPAC Name: (6S)-4-methyl-6-(4-morpholin-4-ylphenyl)-5-(3-nitrophenyl)imino-1,3-diazinan-2-one Traditional Name: (6S)-4-methyl-6-(4-morpholinophenyl)-5-(3-nitrophenyl)imino-hexahydropyrimidin-2-one Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NC2=CC(=CC=C2)[N+](=O)[O-])C(NC(=O)N1)C3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1C(=NC2=CC(=CC=C2)[N+](=O)[O-])[C@@H](NC(=O)N1)C3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H23N5O4/c1-14-19(23-16-3-2-4-18(13-16)26(28)29)20(24-21(27)22-14)15-5-7-17(8-6-15)25-9-11-30-12-10-25/h2-8,13-14,20H,9-12H2,1H3,(H2,22,24,27)/t14?,20-/m0/s1