N-(2-ethylhexyl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine

Systemtic Name: N-(2-ethylhexyl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine Openeye Name: N-(2-ethylhexyl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine CAS Name: N-(2-ethylhexyl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine IUPAC Name: N-(2-ethylhexyl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine Traditional Name: 2-ethylhexyl-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amine Formula: C21H28N4 MolecularWeight: 336.47382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1=NC(=NC2=C1NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCCCC(CC)CNC1=NC(=NC2=C1NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H28N4/c1-4-6-10-16(5-2)14-22-21-20-19(23-15(3)24-21)13-18(25-20)17-11-8-7-9-12-17/h7-9,11-13,16,25H,4-6,10,14H2,1-3H3,(H,22,23,24)