N6-(3-morpholin-4-ylpropyl)-5-nitro-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(3-morpholin-4-ylpropyl)-5-nitro-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(4-isopropylphenyl)-N6-(3-morpholinopropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[3-(4-morpholinyl)propyl]-5-nitro-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-morpholin-4-ylpropyl)-5-nitro-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: (6-cumidino-5-nitro-pyrimidin-4-yl)-(3-morpholinopropyl)amine Formula: C20H28N6O3 MolecularWeight: 400.47472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H28N6O3/c1-15(2)16-4-6-17(7-5-16)24-20-18(26(27)28)19(22-14-23-20)21-8-3-9-25-10-12-29-13-11-25/h4-7,14-15H,3,8-13H2,1-2H3,(H2,21,22,23,24)