4-(7a-propyl-1,7-dihydropyrrolo[2,3-b]pyridin-3-yl)-N-(3-nitrophenyl)pyrimidin-2-amine

Systemtic Name: 4-(7a-propyl-1,7-dihydropyrrolo[2,3-b]pyridin-3-yl)-N-(3-nitrophenyl)pyrimidin-2-amine Openeye Name: 4-(7a-propyl-1,7-dihydropyrrolo[2,3-b]pyridin-3-yl)-N-(3-nitrophenyl)pyrimidin-2-amine CAS Name: 4-(7a-propyl-1,7-dihydropyrrolo[2,3-b]pyridin-3-yl)-N-(3-nitrophenyl)-2-pyrimidinamine IUPAC Name: 4-(7a-propyl-1,7-dihydropyrrolo[2,3-b]pyridin-3-yl)-N-(3-nitrophenyl)pyrimidin-2-amine Traditional Name: [4-(7a-propyl-1,7-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-(3-nitrophenyl)amine Formula: C20H20N6O2 MolecularWeight: 376.4118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC12C(=CC=CN1)C(=CN2)C3=NC(=NC=C3)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCC12C(=CC=CN1)C(=CN2)C3=NC(=NC=C3)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O2/c1-2-9-20-17(7-4-10-22-20)16(13-23-20)18-8-11-21-19(25-18)24-14-5-3-6-15(12-14)26(27)28/h3-8,10-13,22-23H,2,9H2,1H3,(H,21,24,25)